4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;3-bromopyridine-4-carboxylic acid;cyclopropanecarbaldehyde;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;bis(4-(cyclopropylmethyl)-1H-pyrazole);cyclopropyl-[1-(oxan-2-yl)pyrazol-4-yl]methanol

C111H126Br4N26O13 — CID 165075909

About 4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;3-bromopyridine-4-carboxylic acid;cyclopropanecarbaldehyde;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;bis(4-(cyclopropylmethyl)-1H-pyrazole);cyclopropyl-[1-(oxan-2-yl)pyrazol-4-yl]methanol

4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;3-bromopyridine-4-carboxylic acid;cyclopropanecarbaldehyde;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;bis(4-(cyclopropylmethyl)-1H-pyrazole);cyclopropyl-[1-(oxan-2-yl)pyrazol-4-yl]methanol (PubChem CID 165075909) has the molecular formula C111H126Br4N26O13 and a molecular weight of 2352.01 g/mol. Its IUPAC name is 4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;3-bromopyridine-4-carboxylic acid;cyclopropanecarbaldehyde;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;bis(4-(cyclopropylmethyl)-1H-pyrazole);cyclopropyl-[1-(oxan-2-yl)pyrazol-4-yl]methanol.

Molecular Properties

• Compound Name: 4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;3-bromopyridine-4-carboxylic acid;cyclopropanecarbaldehyde;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;bis(4-(cyclopropylmethyl)-1H-pyrazole);cyclopropyl-[1-(oxan-2-yl)pyrazol-4-yl]methanol
• PubChem CID: 165075909
• Molecular Formula: C111H126Br4N26O13
• Molecular Weight: 2352.01 g/mol
• Exact Mass: 2346.67
• IUPAC Name: 4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;3-bromopyridine-4-carboxylic acid;cyclopropanecarbaldehyde;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;bis(4-(cyclopropylmethyl)-1H-pyrazole);cyclopropyl-[1-(oxan-2-yl)pyrazol-4-yl]methanol
• SMILES: Brc1cn[nH]c1.Brc1cnn(C2CCCCO2)c1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(CC5CC5)c24)CNCC3)cc1.CNC(=O)c1ccc(-n2c(=O)c3ccncc3n3ncc(CC4CC4)c23)cc1.CNC(=O)c1ccc(N)cc1.CNC(=O)c1ccc(NC(=O)c2ccncc2Br)cc1.O=C(O)c1ccncc1Br.O=CC1CC1.OC(c1cnn(C2CCCCO2)c1)C1CC1.c1n[nH]cc1CC1CC1.c1n[nH]cc1CC1CC1
• InChI: InChI=1S/C21H23N5O2.C21H19N5O2.C14H12BrN3O2.C12H18N2O2.C8H11BrN2O.C8H10N2O.2C7H10N2.C6H4BrNO2.C4H6O.C3H3BrN2/c2*1-22-19(27)14-4-6-16(7-5-14)25-20-15(10-13-2-3-13)11-24-26(20)18-12-23-9-8-17(18)21(25)28;1-16-13(19)9-2-4-10(5-3-9)18-14(20)11-6-7-17-8-12(11)15;15-12(9-4-5-9)10-7-13-14(8-10)11-3-1-2-6-16-11;9-7-5-10-11(6-7)8-3-1-2-4-12-8;1-10-8(11)6-2-4-7(9)5-3-6;2*1-2-6(1)3-7-4-8-9-5-7;7-5-3-8-2-1-4(5)6(9)10;5-3-4-1-2-4;4-3-1-5-6-2-3/h4-7,11,13,23H,2-3,8-10,12H2,1H3,(H,22,27);4-9,11-13H,2-3,10H2,1H3,(H,22,27);2-8H,1H3,(H,16,19)(H,18,20);7-9,11-12,15H,1-6H2;5-6,8H,1-4H2;2-5H,9H2,1H3,(H,10,11);2*4-6H,1-3H2,(H,8,9);1-3H,(H,9,10);3-4H,1-2H2;1-2H,(H,5,6)
• InChIKey: UHJPSDCHSYZKAN-UHFFFAOYSA-N
• XLogP: 17.28
• TPSA: 515.56 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 22
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2352.01
LogP ≤ 5	17.28
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;3-bromopyridine-4-carboxylic acid;cyclopropanecarbaldehyde;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;bis(4-(cyclopropylmethyl)-1H-pyrazole);cyclopropyl-[1-(oxan-2-yl)pyrazol-4-yl]methanol?

The IUPAC name of 4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;3-bromopyridine-4-carboxylic acid;cyclopropanecarbaldehyde;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;bis(4-(cyclopropylmethyl)-1H-pyrazole);cyclopropyl-[1-(oxan-2-yl)pyrazol-4-yl]methanol (CID 165075909) is 4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;3-bromopyridine-4-carboxylic acid;cyclopropanecarbaldehyde;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;bis(4-(cyclopropylmethyl)-1H-pyrazole);cyclopropyl-[1-(oxan-2-yl)pyrazol-4-yl]methanol.

What is the SMILES notation for 4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;3-bromopyridine-4-carboxylic acid;cyclopropanecarbaldehyde;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;bis(4-(cyclopropylmethyl)-1H-pyrazole);cyclopropyl-[1-(oxan-2-yl)pyrazol-4-yl]methanol?

The canonical SMILES for 4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;3-bromopyridine-4-carboxylic acid;cyclopropanecarbaldehyde;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;bis(4-(cyclopropylmethyl)-1H-pyrazole);cyclopropyl-[1-(oxan-2-yl)pyrazol-4-yl]methanol is Brc1cn[nH]c1.Brc1cnn(C2CCCCO2)c1.CNC(=O)c1ccc(-n2c(=O)c3c(n4ncc(CC5CC5)c24)CNCC3)cc1.CNC(=O)c1ccc(-n2c(=O)c3ccncc3n3ncc(CC4CC4)c23)cc1.CNC(=O)c1ccc(N)cc1.CNC(=O)c1ccc(NC(=O)c2ccncc2Br)cc1.O=C(O)c1ccncc1Br.O=CC1CC1.OC(c1cnn(C2CCCCO2)c1)C1CC1.c1n[nH]cc1CC1CC1.c1n[nH]cc1CC1CC1.

What is the InChIKey of 4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;3-bromopyridine-4-carboxylic acid;cyclopropanecarbaldehyde;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;bis(4-(cyclopropylmethyl)-1H-pyrazole);cyclopropyl-[1-(oxan-2-yl)pyrazol-4-yl]methanol?

The InChIKey is UHJPSDCHSYZKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2.C21H19N5O2.C14H12BrN3O2.C12H18N2O2.C8H11BrN2O.C8H10N2O.2C7H10N2.C6H4BrNO2.C4H6O.C3H3BrN2/c2*1-22-19(27)14-4-6-16(7-5-14)25-20-15(10-13-2-3-13)11-24-26(20)18-12-23-9-8-17(18)21(25)28;1-16-13(19)9-2-4-10(5-3-9)18-14(20)11-6-7-17-8-12(11)15;15-12(9-4-5-9)10-7-13-14(8-10)11-3-1-2-6-16-11;9-7-5-10-11(6-7)8-3-1-2-4-12-8;1-10-8(11)6-2-4-7(9)5-3-6;2*1-2-6(1)3-7-4-8-9-5-7;7-5-3-8-2-1-4(5)6(9)10;5-3-4-1-2-4;4-3-1-5-6-2-3/h4-7,11,13,23H,2-3,8-10,12H2,1H3,(H,22,27);4-9,11-13H,2-3,10H2,1H3,(H,22,27);2-8H,1H3,(H,16,19)(H,18,20);7-9,11-12,15H,1-6H2;5-6,8H,1-4H2;2-5H,9H2,1H3,(H,10,11);2*4-6H,1-3H2,(H,8,9);1-3H,(H,9,10);3-4H,1-2H2;1-2H,(H,5,6).

What are the key properties of 4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;3-bromopyridine-4-carboxylic acid;cyclopropanecarbaldehyde;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;bis(4-(cyclopropylmethyl)-1H-pyrazole);cyclopropyl-[1-(oxan-2-yl)pyrazol-4-yl]methanol?

4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;3-bromopyridine-4-carboxylic acid;cyclopropanecarbaldehyde;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;bis(4-(cyclopropylmethyl)-1H-pyrazole);cyclopropyl-[1-(oxan-2-yl)pyrazol-4-yl]methanol has a molecular weight of 2352.01 g/mol, XLogP of 17.28, 22 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-methylbenzamide;3-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;3-bromopyridine-4-carboxylic acid;cyclopropanecarbaldehyde;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-yl]-N-methylbenzamide;4-[5-(cyclopropylmethyl)-8-oxo-2,3,7,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-7-yl]-N-methylbenzamide;bis(4-(cyclopropylmethyl)-1H-pyrazole);cyclopropyl-[1-(oxan-2-yl)pyrazol-4-yl]methanol is sourced from PubChem (CID 165075909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).