N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide

C11H17N3O — CID 6734414

IUPACN-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1CCCCC1)c1cn[nH]c1
InChIInChI=1S/C11H17N3O/c15-11(10-7-13-14-8-10)12-6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,12,15)(H,13,14)
InChIKeyRHVNNLUMTBJTNG-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.72
Rot. Bonds3

About N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide

N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide (PubChem CID 6734414) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide
PubChem CID6734414
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1CCCCC1)c1cn[nH]c1
InChIInChI=1S/C11H17N3O/c15-11(10-7-13-14-8-10)12-6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,12,15)(H,13,14)
InChIKeyRHVNNLUMTBJTNG-UHFFFAOYSA-N
XLogP1.72
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-cyclohexyl-1H-pyrazole-4-carboxamide
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N-[[4-[(4-fluorophenoxy)methyl]cyclohexyl]methyl]-1H-pyrazole-4-carboxamide
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N-(piperidin-1-ylmethyl)-1H-pyrazole-4-carboxamide
CID 90789328
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 63897139
N-(cyclohexylmethyl)-4-iodobenzamide
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N-(cyclohexylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 59811916
N-(cyclopentylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63865672
N-(cyclohexylmethyl)-5-methylpyrazine-2-carboxamide
CID 855752
5-chloro-N-(cyclohexylmethyl)pyrazine-2-carboxamide
CID 107236593
N-(cyclopentylmethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 62400684
N-(cyclopentylmethyl)-2-hydrazinylpyridine-4-carboxamide
CID 62243385

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide (CID 6734414) is N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide is O=C(NCC1CCCCC1)c1cn[nH]c1.
What is the InChIKey of N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is RHVNNLUMTBJTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c15-11(10-7-13-14-8-10)12-6-9-4-2-1-3-5-9/h7-9H,1-6H2,(H,12,15)(H,13,14).
What are the key properties of N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide?
N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 6734414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).