1-(cyclohexylmethyl)pyrazole-3-carboxamide

C11H17N3O — CID 173124048

IUPAC1-(cyclohexylmethyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(CC2CCCCC2)n1
InChIInChI=1S/C11H17N3O/c12-11(15)10-6-7-14(13-10)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H2,12,15)
InChIKeyDLNTZUYAAXBUQW-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.56
Rot. Bonds3

About 1-(cyclohexylmethyl)pyrazole-3-carboxamide

1-(cyclohexylmethyl)pyrazole-3-carboxamide (PubChem CID 173124048) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)pyrazole-3-carboxamide
PubChem CID173124048
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(cyclohexylmethyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(CC2CCCCC2)n1
InChIInChI=1S/C11H17N3O/c12-11(15)10-6-7-14(13-10)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H2,12,15)
InChIKeyDLNTZUYAAXBUQW-UHFFFAOYSA-N
XLogP1.56
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)pyrazole-3-carboxamide (CID 173124048) is 1-(cyclohexylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)pyrazole-3-carboxamide is NC(=O)c1ccn(CC2CCCCC2)n1.
What is the InChIKey of 1-(cyclohexylmethyl)pyrazole-3-carboxamide?
The InChIKey is DLNTZUYAAXBUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-11(15)10-6-7-14(13-10)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H2,12,15).
What are the key properties of 1-(cyclohexylmethyl)pyrazole-3-carboxamide?
1-(cyclohexylmethyl)pyrazole-3-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 173124048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).