1-cycloheptyl-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide

C18H28N6O — CID 95723235

IUPAC1-cycloheptyl-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide
SMILESCc1n[nH]c(C)c1[C@H](C)N(C)C(=O)c1cn(C2CCCCCC2)nn1
InChIInChI=1S/C18H28N6O/c1-12-17(13(2)20-19-12)14(3)23(4)18(25)16-11-24(22-21-16)15-9-7-5-6-8-10-15/h11,14-15H,5-10H2,1-4H3,(H,19,20)/t14-/m0/s1
InChIKeyNMMGIQUGZTXVDS-AWEZNQCLSA-N
MW344.46 g/mol
LogP3.35
Rot. Bonds4

About 1-cycloheptyl-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide

1-cycloheptyl-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide (PubChem CID 95723235) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-cycloheptyl-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide
PubChem CID95723235
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name1-cycloheptyl-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide
SMILESCc1n[nH]c(C)c1[C@H](C)N(C)C(=O)c1cn(C2CCCCCC2)nn1
InChIInChI=1S/C18H28N6O/c1-12-17(13(2)20-19-12)14(3)23(4)18(25)16-11-24(22-21-16)15-9-7-5-6-8-10-15/h11,14-15H,5-10H2,1-4H3,(H,19,20)/t14-/m0/s1
InChIKeyNMMGIQUGZTXVDS-AWEZNQCLSA-N
XLogP3.35
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 56779550
N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1H-1,2,3-triazole-5-carboxamide
CID 56892131
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70706385
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70712427
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70739007
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70755345
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70764277
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-(cis-4-aminocyclohexyl)-N-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
CID 70714245
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
(3,5-dimethyl-1H-pyrazol-4-yl)-[4-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]methanone
CID 31043951

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide?
The IUPAC name of 1-cycloheptyl-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide (CID 95723235) is 1-cycloheptyl-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-cycloheptyl-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide?
The canonical SMILES for 1-cycloheptyl-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide is Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)c1cn(C2CCCCCC2)nn1.
What is the InChIKey of 1-cycloheptyl-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide?
The InChIKey is NMMGIQUGZTXVDS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28N6O/c1-12-17(13(2)20-19-12)14(3)23(4)18(25)16-11-24(22-21-16)15-9-7-5-6-8-10-15/h11,14-15H,5-10H2,1-4H3,(H,19,20)/t14-/m0/s1.
What are the key properties of 1-cycloheptyl-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide?
1-cycloheptyl-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 95723235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).