N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-carboxamide

C12H20N4O — CID 119259808

IUPACN-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2(N)CCCCC2)cn1
InChIInChI=1S/C12H20N4O/c1-16-8-10(7-15-16)11(17)14-9-12(13)5-3-2-4-6-12/h7-8H,2-6,9,13H2,1H3,(H,14,17)
InChIKeyKOZQSSVONBZPQB-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.81
Rot. Bonds3

About N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-carboxamide

N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 119259808) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-carboxamide
PubChem CID119259808
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2(N)CCCCC2)cn1
InChIInChI=1S/C12H20N4O/c1-16-8-10(7-15-16)11(17)14-9-12(13)5-3-2-4-6-12/h7-8H,2-6,9,13H2,1H3,(H,14,17)
InChIKeyKOZQSSVONBZPQB-UHFFFAOYSA-N
XLogP0.81
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylpyrazole-4-carboxamide
CID 113360016
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide
CID 113294452
1-[[(1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81361803
N-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole-4-carboxamide
CID 115364123
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-methylpyrazole-4-carboxamide
CID 114758126
N-[(1-aminocyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 119404493
N-[(1-aminocyclohexyl)methyl]-3,5-difluorobenzamide
CID 119404038
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride
CID 71894825
N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 19474676
N-[(1-aminocycloheptyl)methyl]-4-(methoxymethyl)benzamide
CID 166201965
N-[(2R)-2-(azepan-1-yl)propyl]-1-methylpyrazole-4-carboxamide
CID 39554190

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-carboxamide (CID 119259808) is N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCC2(N)CCCCC2)cn1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is KOZQSSVONBZPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-16-8-10(7-15-16)11(17)14-9-12(13)5-3-2-4-6-12/h7-8H,2-6,9,13H2,1H3,(H,14,17).
What are the key properties of N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-carboxamide?
N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 119259808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).