N-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride

C13H23ClN4O — CID 119610682

IUPACN-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCCCC2CN)nn1C.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-9-7-12(16-17(9)2)13(18)15-11-6-4-3-5-10(11)8-14;/h7,10-11H,3-6,8,14H2,1-2H3,(H,15,18);1H
InChIKeyCBUZJGDZNWQQOU-UHFFFAOYSA-N
MW286.81 g/mol
LogP1.40
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride (PubChem CID 119610682) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
PubChem CID119610682
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCCCC2CN)nn1C.Cl
InChIInChI=1S/C13H22N4O.ClH/c1-9-7-12(16-17(9)2)13(18)15-11-6-4-3-5-10(11)8-14;/h7,10-11H,3-6,8,14H2,1-2H3,(H,15,18);1H
InChIKeyCBUZJGDZNWQQOU-UHFFFAOYSA-N
XLogP1.40
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(bromomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide
CID 114219227
2-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 113263276
N-[2-(aminomethyl)cyclopentyl]-1,3-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119600954
N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119600843
N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide;hydrochloride
CID 119609982
N-[2-(aminomethyl)cyclohexyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119612272
N-[2-(aminomethyl)cyclohexyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 119609735
2-N-[2-(aminomethyl)cyclohexyl]-1-methylpyrrole-2,4-dicarboxamide;hydrochloride
CID 119612146
N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 119609983
N-[2-(aminomethyl)cyclohexyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
CID 119612281
N-(2-amino-1-cyclopropylethyl)-1,5-dimethylpyrazole-3-carboxamide
CID 119615000
N-[2-(aminomethyl)cyclohexyl]pyrazine-2-carboxamide;dihydrochloride
CID 119611743

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride (CID 119610682) is N-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride is Cc1cc(C(=O)NC2CCCCC2CN)nn1C.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride?
The InChIKey is CBUZJGDZNWQQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.ClH/c1-9-7-12(16-17(9)2)13(18)15-11-6-4-3-5-10(11)8-14;/h7,10-11H,3-6,8,14H2,1-2H3,(H,15,18);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride has a molecular weight of 286.81 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119610682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).