N-[(1-aminocyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide

C13H22N4O — CID 119404493

IUPACN-[(1-aminocyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2(N)CCCCC2)n(C)n1
InChIInChI=1S/C13H22N4O/c1-10-8-11(17(2)16-10)12(18)15-9-13(14)6-4-3-5-7-13/h8H,3-7,9,14H2,1-2H3,(H,15,18)
InChIKeyHYFHYDGRJZMXNU-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.12
Rot. Bonds3

About N-[(1-aminocyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide

N-[(1-aminocyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 119404493) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID119404493
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[(1-aminocyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2(N)CCCCC2)n(C)n1
InChIInChI=1S/C13H22N4O/c1-10-8-11(17(2)16-10)12(18)15-9-13(14)6-4-3-5-7-13/h8H,3-7,9,14H2,1-2H3,(H,15,18)
InChIKeyHYFHYDGRJZMXNU-UHFFFAOYSA-N
XLogP1.12
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(aminomethyl)cyclohexyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 103970196
N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 66126067
1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449752
2,5-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide
CID 114217953
1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440961
N-[(1-aminocyclohexyl)methyl]-1-methylpyrazole-4-carboxamide
CID 119259808
N-[(1-aminocyclohexyl)methyl]-6-methylpyridine-2-carboxamide
CID 119404313
2-[1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclopentyl]acetic acid
CID 66127117
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 103970100
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114758986
N-(5-amino-2,2-dimethylpentyl)-2,5-dimethylpyrazole-3-carboxamide
CID 114148938
N-[(1-aminocyclohexyl)methyl]-3-methylpyridine-2-carboxamide
CID 119404249

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide (CID 119404493) is N-[(1-aminocyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCC2(N)CCCCC2)n(C)n1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is HYFHYDGRJZMXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-8-11(17(2)16-10)12(18)15-9-13(14)6-4-3-5-7-13/h8H,3-7,9,14H2,1-2H3,(H,15,18).
What are the key properties of N-[(1-aminocyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[(1-aminocyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.12, 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]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 119404493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).