dichloromethane;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(1-methyltriazol-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(1-methyltriazol-4-yl)pyrazol-3-amine

C41H52Cl3F2N13O2 — CID 159504495

About dichloromethane;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(1-methyltriazol-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(1-methyltriazol-4-yl)pyrazol-3-amine

dichloromethane;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(1-methyltriazol-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(1-methyltriazol-4-yl)pyrazol-3-amine (PubChem CID 159504495) has the molecular formula C41H52Cl3F2N13O2 and a molecular weight of 903.31 g/mol. Its IUPAC name is dichloromethane;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(1-methyltriazol-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(1-methyltriazol-4-yl)pyrazol-3-amine.

Molecular Properties

• Compound Name: dichloromethane;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(1-methyltriazol-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(1-methyltriazol-4-yl)pyrazol-3-amine
• PubChem CID: 159504495
• Molecular Formula: C41H52Cl3F2N13O2
• Molecular Weight: 903.31 g/mol
• Exact Mass: 901.34
• IUPAC Name: dichloromethane;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(1-methyltriazol-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(1-methyltriazol-4-yl)pyrazol-3-amine
• SMILES: CCN(C(C)C)C(C)C.ClCCl.Cn1cc(-n2ccc(N)n2)nn1.Cn1cc(-n2ccc(NC(=O)C3(c4ccccc4F)CC3)n2)nn1.O=C(Cl)C1(c2ccccc2F)CC1
• InChI: InChI=1S/C16H15FN6O.C10H8ClFO.C8H19N.C6H8N6.CH2Cl2/c1-22-10-14(19-21-22)23-9-6-13(20-23)18-15(24)16(7-8-16)11-4-2-3-5-12(11)17;11-9(13)10(5-6-10)7-3-1-2-4-8(7)12;1-6-9(7(2)3)8(4)5;1-11-4-6(8-10-11)12-3-2-5(7)9-12;2-1-3/h2-6,9-10H,7-8H2,1H3,(H,18,20,24);1-4H,5-6H2;7-8H,6H2,1-5H3;2-4H,1H3,(H2,7,9);1H2
• InChIKey: LZUQSROINDCFNA-UHFFFAOYSA-N
• XLogP: 7.56
• TPSA: 172.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	903.31
LogP ≤ 5	7.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dichloromethane;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(1-methyltriazol-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(1-methyltriazol-4-yl)pyrazol-3-amine?

The IUPAC name of dichloromethane;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(1-methyltriazol-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(1-methyltriazol-4-yl)pyrazol-3-amine (CID 159504495) is dichloromethane;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(1-methyltriazol-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(1-methyltriazol-4-yl)pyrazol-3-amine.

What is the SMILES notation for dichloromethane;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(1-methyltriazol-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(1-methyltriazol-4-yl)pyrazol-3-amine?

The canonical SMILES for dichloromethane;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(1-methyltriazol-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(1-methyltriazol-4-yl)pyrazol-3-amine is CCN(C(C)C)C(C)C.ClCCl.Cn1cc(-n2ccc(N)n2)nn1.Cn1cc(-n2ccc(NC(=O)C3(c4ccccc4F)CC3)n2)nn1.O=C(Cl)C1(c2ccccc2F)CC1.

What is the InChIKey of dichloromethane;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(1-methyltriazol-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(1-methyltriazol-4-yl)pyrazol-3-amine?

The InChIKey is LZUQSROINDCFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O.C10H8ClFO.C8H19N.C6H8N6.CH2Cl2/c1-22-10-14(19-21-22)23-9-6-13(20-23)18-15(24)16(7-8-16)11-4-2-3-5-12(11)17;11-9(13)10(5-6-10)7-3-1-2-4-8(7)12;1-6-9(7(2)3)8(4)5;1-11-4-6(8-10-11)12-3-2-5(7)9-12;2-1-3/h2-6,9-10H,7-8H2,1H3,(H,18,20,24);1-4H,5-6H2;7-8H,6H2,1-5H3;2-4H,1H3,(H2,7,9);1H2.

What are the key properties of dichloromethane;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(1-methyltriazol-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(1-methyltriazol-4-yl)pyrazol-3-amine?

dichloromethane;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(1-methyltriazol-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(1-methyltriazol-4-yl)pyrazol-3-amine has a molecular weight of 903.31 g/mol, XLogP of 7.56, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for dichloromethane;N-ethyl-N-propan-2-ylpropan-2-amine;1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(1-methyltriazol-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(1-methyltriazol-4-yl)pyrazol-3-amine is sourced from PubChem (CID 159504495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).