1,3-dimethyl-N-[5-(2-methylpropyl)-4-azatetracyclo[7.4.0.02,5.03,8]trideca-1(9),10,12-trien-10-yl]pyrazole-4-carboxamide

C22H28N4O — CID 123643640

IUPAC1,3-dimethyl-N-[5-(2-methylpropyl)-4-azatetracyclo[7.4.0.02,5.03,8]trideca-1(9),10,12-trien-10-yl]pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1cccc2c1C1CCC3(CC(C)C)NC1C23
InChIInChI=1S/C22H28N4O/c1-12(2)10-22-9-8-15-18-14(19(22)20(15)24-22)6-5-7-17(18)23-21(27)16-11-26(4)25-13(16)3/h5-7,11-12,15,19-20,24H,8-10H2,1-4H3,(H,23,27)
InChIKeyJAJBPQFZZLMSRE-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.71
Rot. Bonds4

About 1,3-dimethyl-N-[5-(2-methylpropyl)-4-azatetracyclo[7.4.0.02,5.03,8]trideca-1(9),10,12-trien-10-yl]pyrazole-4-carboxamide

1,3-dimethyl-N-[5-(2-methylpropyl)-4-azatetracyclo[7.4.0.02,5.03,8]trideca-1(9),10,12-trien-10-yl]pyrazole-4-carboxamide (PubChem CID 123643640) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 1,3-dimethyl-N-[5-(2-methylpropyl)-4-azatetracyclo[7.4.0.02,5.03,8]trideca-1(9),10,12-trien-10-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[5-(2-methylpropyl)-4-azatetracyclo[7.4.0.02,5.03,8]trideca-1(9),10,12-trien-10-yl]pyrazole-4-carboxamide
PubChem CID123643640
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name1,3-dimethyl-N-[5-(2-methylpropyl)-4-azatetracyclo[7.4.0.02,5.03,8]trideca-1(9),10,12-trien-10-yl]pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1cccc2c1C1CCC3(CC(C)C)NC1C23
InChIInChI=1S/C22H28N4O/c1-12(2)10-22-9-8-15-18-14(19(22)20(15)24-22)6-5-7-17(18)23-21(27)16-11-26(4)25-13(16)3/h5-7,11-12,15,19-20,24H,8-10H2,1-4H3,(H,23,27)
InChIKeyJAJBPQFZZLMSRE-UHFFFAOYSA-N
XLogP3.71
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,3-dimethyl-N-[5-(2-methylpropyl)-4-azatetracyclo[7.4.0.02,5.03,8]trideca-1(9),10,12-trien-10-yl]pyrazole-4-carboxamide with MolForge

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Related Compounds

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CID 163492536
1-methyl-3-propan-2-yl-N-(11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyrazole-4-carboxamide
CID 59403645
3-(difluoromethyl)-1-methyl-N-[(1R)-11-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]pyrazole-4-carboxamide
CID 71206075
3-(difluoromethyl)-1-methyl-N-(8-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyrazole-4-carboxamide
CID 162568236
N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285304
N-[2-[(1R,2S)-2-cyclopropylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
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CID 42352848
N-(8-butyl-7-propan-2-yl-2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
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N-(2,3-dihydro-1H-inden-4-yl)-1,3-dimethylpyrazole-4-carboxamide;methanamine
CID 174724104
N-[(1S,8R)-11-(dichloromethylidene)-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 51347655
N-(3-tert-butyl-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
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3-(difluoromethyl)-1-methyl-N-(3-methyl-2-propan-2-yl-8-tricyclo[5.4.0.02,6]undeca-1(7),8,10-trienyl)pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[5-(2-methylpropyl)-4-azatetracyclo[7.4.0.02,5.03,8]trideca-1(9),10,12-trien-10-yl]pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[5-(2-methylpropyl)-4-azatetracyclo[7.4.0.02,5.03,8]trideca-1(9),10,12-trien-10-yl]pyrazole-4-carboxamide (CID 123643640) is 1,3-dimethyl-N-[5-(2-methylpropyl)-4-azatetracyclo[7.4.0.02,5.03,8]trideca-1(9),10,12-trien-10-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[5-(2-methylpropyl)-4-azatetracyclo[7.4.0.02,5.03,8]trideca-1(9),10,12-trien-10-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[5-(2-methylpropyl)-4-azatetracyclo[7.4.0.02,5.03,8]trideca-1(9),10,12-trien-10-yl]pyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)Nc1cccc2c1C1CCC3(CC(C)C)NC1C23.
What is the InChIKey of 1,3-dimethyl-N-[5-(2-methylpropyl)-4-azatetracyclo[7.4.0.02,5.03,8]trideca-1(9),10,12-trien-10-yl]pyrazole-4-carboxamide?
The InChIKey is JAJBPQFZZLMSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-12(2)10-22-9-8-15-18-14(19(22)20(15)24-22)6-5-7-17(18)23-21(27)16-11-26(4)25-13(16)3/h5-7,11-12,15,19-20,24H,8-10H2,1-4H3,(H,23,27).
What are the key properties of 1,3-dimethyl-N-[5-(2-methylpropyl)-4-azatetracyclo[7.4.0.02,5.03,8]trideca-1(9),10,12-trien-10-yl]pyrazole-4-carboxamide?
1,3-dimethyl-N-[5-(2-methylpropyl)-4-azatetracyclo[7.4.0.02,5.03,8]trideca-1(9),10,12-trien-10-yl]pyrazole-4-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[5-(2-methylpropyl)-4-azatetracyclo[7.4.0.02,5.03,8]trideca-1(9),10,12-trien-10-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 123643640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).