1-cycloheptyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide

C18H28N6O — CID 56898638

IUPAC1-cycloheptyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)c1cn(C2CCCCCC2)nn1
InChIInChI=1S/C18H28N6O/c1-13-16(14(2)20-19-13)10-11-23(3)18(25)17-12-24(22-21-17)15-8-6-4-5-7-9-15/h12,15H,4-11H2,1-3H3,(H,19,20)
InChIKeyQEFYHPBKDHGMIV-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.83
Rot. Bonds5

About 1-cycloheptyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide

1-cycloheptyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide (PubChem CID 56898638) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-cycloheptyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide
PubChem CID56898638
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name1-cycloheptyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)c1cn(C2CCCCCC2)nn1
InChIInChI=1S/C18H28N6O/c1-13-16(14(2)20-19-13)10-11-23(3)18(25)17-12-24(22-21-17)15-8-6-4-5-7-9-15/h12,15H,4-11H2,1-3H3,(H,19,20)
InChIKeyQEFYHPBKDHGMIV-UHFFFAOYSA-N
XLogP2.83
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide?
The IUPAC name of 1-cycloheptyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide (CID 56898638) is 1-cycloheptyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide.
What is the SMILES notation for 1-cycloheptyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide?
The canonical SMILES for 1-cycloheptyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide is Cc1n[nH]c(C)c1CCN(C)C(=O)c1cn(C2CCCCCC2)nn1.
What is the InChIKey of 1-cycloheptyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide?
The InChIKey is QEFYHPBKDHGMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-13-16(14(2)20-19-13)10-11-23(3)18(25)17-12-24(22-21-17)15-8-6-4-5-7-9-15/h12,15H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 1-cycloheptyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide?
1-cycloheptyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyltriazole-4-carboxamide is sourced from PubChem (CID 56898638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).