N-[2-(aminomethyl)cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide

C13H22N4O — CID 103120887

IUPACN-[2-(aminomethyl)cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCN(C(=O)c1ccn(C)n1)C1CCCCC1CN
InChIInChI=1S/C13H22N4O/c1-16-8-7-11(15-16)13(18)17(2)12-6-4-3-5-10(12)9-14/h7-8,10,12H,3-6,9,14H2,1-2H3
InChIKeyABCORDZWPSSVEW-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.01
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide

N-[2-(aminomethyl)cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 103120887) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID103120887
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide
SMILESCN(C(=O)c1ccn(C)n1)C1CCCCC1CN
InChIInChI=1S/C13H22N4O/c1-16-8-7-11(15-16)13(18)17(2)12-6-4-3-5-10(12)9-14/h7-8,10,12H,3-6,9,14H2,1-2H3
InChIKeyABCORDZWPSSVEW-UHFFFAOYSA-N
XLogP1.01
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylpyrazole-3-carboxamide
CID 103120889
N-[2-(aminomethyl)cyclohexyl]-5-fluoro-N-methylpyridine-2-carboxamide
CID 104639305
N-[2-(aminomethyl)cyclohexyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66121154
N-(2-aminoethyl)-N-cyclopropyl-1-methylpyrazole-3-carboxamide
CID 103115823
N-[2-(aminomethyl)cyclohexyl]-1-cyclobutyl-N-methylpyrrole-2-carboxamide
CID 114610428
N-[2-(aminomethyl)cyclohexyl]-3-hydroxy-N-methylpyridine-4-carboxamide
CID 81442866
N-[2-(aminomethyl)cyclohexyl]-N-methyl-1,3-thiazole-5-carboxamide
CID 114031291
N-(3-aminopropyl)-N-cycloheptyl-1-methylpyrazole-3-carboxamide
CID 103115758
N,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide
CID 103120629
N-[2-(aminomethyl)cyclohexyl]-4-hydroxy-N,3-dimethylbenzamide
CID 107672133
N-[4-(ethylamino)cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide
CID 103115670
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107015942

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide (CID 103120887) is N-[2-(aminomethyl)cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide is CN(C(=O)c1ccn(C)n1)C1CCCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is ABCORDZWPSSVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-16-8-7-11(15-16)13(18)17(2)12-6-4-3-5-10(12)9-14/h7-8,10,12H,3-6,9,14H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide?
N-[2-(aminomethyl)cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 103120887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).