1-(4-aminocyclohexyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide

C16H25N7O — CID 70714245

IUPAC1-(4-aminocyclohexyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide
SMILESCc1cc(CC(C)NC(=O)c2cn(C3CCC(N)CC3)nn2)n[nH]1
InChIInChI=1S/C16H25N7O/c1-10(7-13-8-11(2)19-20-13)18-16(24)15-9-23(22-21-15)14-5-3-12(17)4-6-14/h8-10,12,14H,3-7,17H2,1-2H3,(H,18,24)(H,19,20)
InChIKeyJVIFIKZLCNMTLF-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.11
Rot. Bonds5

About 1-(4-aminocyclohexyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide

1-(4-aminocyclohexyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide (PubChem CID 70714245) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide
PubChem CID70714245
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC Name1-(4-aminocyclohexyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide
SMILESCc1cc(CC(C)NC(=O)c2cn(C3CCC(N)CC3)nn2)n[nH]1
InChIInChI=1S/C16H25N7O/c1-10(7-13-8-11(2)19-20-13)18-16(24)15-9-23(22-21-15)14-5-3-12(17)4-6-14/h8-10,12,14H,3-7,17H2,1-2H3,(H,18,24)(H,19,20)
InChIKeyJVIFIKZLCNMTLF-UHFFFAOYSA-N
XLogP1.11
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70712427
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70755345
1-(cyclohexylmethyl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyltriazole-4-carboxamide
CID 42197338
1-[2-(diethylamino)-2-oxoethyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]triazole-4-carboxamide
CID 42289904
1-(2-aminoethyl)-N-[(5-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide dihydrochloride
CID 70719528
N-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70757272
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide
CID 45168401
1-(4-fluorobenzyl)-N-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 56905367
N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,5-thiadiazole-3-carboxamide
CID 75456921
5-(2-methylpropyl)-N-[2-(4-methyltriazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 91839647
1-cycloheptyl-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide
CID 95723235
N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-1H-1,2,3-triazole-5-carboxamide
CID 118781482

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide?
The IUPAC name of 1-(4-aminocyclohexyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide (CID 70714245) is 1-(4-aminocyclohexyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-aminocyclohexyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-aminocyclohexyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide is Cc1cc(CC(C)NC(=O)c2cn(C3CCC(N)CC3)nn2)n[nH]1.
What is the InChIKey of 1-(4-aminocyclohexyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide?
The InChIKey is JVIFIKZLCNMTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-10(7-13-8-11(2)19-20-13)18-16(24)15-9-23(22-21-15)14-5-3-12(17)4-6-14/h8-10,12,14H,3-7,17H2,1-2H3,(H,18,24)(H,19,20).
What are the key properties of 1-(4-aminocyclohexyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide?
1-(4-aminocyclohexyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]triazole-4-carboxamide is sourced from PubChem (CID 70714245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).