N-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide

C12H19N3O — CID 1246452

IUPACN-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide
SMILESCn1cc(CNC(=O)C2CCCCC2)cn1
InChIInChI=1S/C12H19N3O/c1-15-9-10(8-14-15)7-13-12(16)11-5-3-2-4-6-11/h8-9,11H,2-7H2,1H3,(H,13,16)
InChIKeyNGYBIOORHWVZAL-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.62
Rot. Bonds3

About N-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide

N-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide (PubChem CID 1246452) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide
PubChem CID1246452
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide
SMILESCn1cc(CNC(=O)C2CCCCC2)cn1
InChIInChI=1S/C12H19N3O/c1-15-9-10(8-14-15)7-13-12(16)11-5-3-2-4-6-11/h8-9,11H,2-7H2,1H3,(H,13,16)
InChIKeyNGYBIOORHWVZAL-UHFFFAOYSA-N
XLogP1.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-adamantanecarboxamide
CID 3556765
2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide
CID 19290567
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclohexanecarboxamide
CID 19469143
1-cycloheptyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24817519
N-cyclopropyl-3-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}propanamide
CID 26336154
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide
CID 35276265
N-[2-oxo-2-(3-pyrazol-1-ylpropylamino)ethyl]cyclohexanecarboxamide
CID 37393188
N-[(1-ethylpyrazol-4-yl)methyl]cyclopentanecarboxamide
CID 39854803
N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide
CID 39891826
2-Cyclohexyl-1-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 53572034
3-(1-methyl-2-piperidinyl)-N-[3-(4-methyl-1H-pyrazol-1-yl)propyl]propanamide
CID 72940670
N-(cyclopropylmethyl)-8-[(1-methylpyrazol-4-yl)methyl]-8-azaspiro[4.5]decane-3-carboxamide
CID 118743160

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide (CID 1246452) is N-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide is Cn1cc(CNC(=O)C2CCCCC2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide?
The InChIKey is NGYBIOORHWVZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15-9-10(8-14-15)7-13-12(16)11-5-3-2-4-6-11/h8-9,11H,2-7H2,1H3,(H,13,16).
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide?
N-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 1246452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).