3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1-carboxamide;hydrochloride

C20H29ClN4O — CID 119694410

IUPAC3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C20H28N4O.ClH/c1-14-19(12-22-20(25)17-9-6-10-18(21)11-17)15(2)24(23-14)13-16-7-4-3-5-8-16;/h3-5,7-8,17-18H,6,9-13,21H2,1-2H3,(H,22,25);1H
InChIKeyOCXFLAIKMMYJCT-UHFFFAOYSA-N
MW376.93 g/mol
LogP3.10
Rot. Bonds5

About 3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119694410) has the molecular formula C20H29ClN4O and a molecular weight of 376.93 g/mol. Its IUPAC name is 3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119694410
Molecular FormulaC20H29ClN4O
Molecular Weight376.93 g/mol
Exact Mass376.20
IUPAC Name3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1CCCC(N)C1.Cl
InChIInChI=1S/C20H28N4O.ClH/c1-14-19(12-22-20(25)17-9-6-10-18(21)11-17)15(2)24(23-14)13-16-7-4-3-5-8-16;/h3-5,7-8,17-18H,6,9-13,21H2,1-2H3,(H,22,25);1H
InChIKeyOCXFLAIKMMYJCT-UHFFFAOYSA-N
XLogP3.10
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
CID 8944646
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 17432528
2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
trans-(1S,2S)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 41447387
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119694423
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55558860
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 35437972
(3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 41077210
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,3-dicyclopropylpropanamide
CID 48574002
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]cyclobutanecarboxamide
CID 4305269
(3R)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 26002894

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1-carboxamide;hydrochloride (CID 119694410) is 3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1-carboxamide;hydrochloride is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1CCCC(N)C1.Cl.
What is the InChIKey of 3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is OCXFLAIKMMYJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O.ClH/c1-14-19(12-22-20(25)17-9-6-10-18(21)11-17)15(2)24(23-14)13-16-7-4-3-5-8-16;/h3-5,7-8,17-18H,6,9-13,21H2,1-2H3,(H,22,25);1H.
What are the key properties of 3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 376.93 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119694410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).