3-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylbutanamide;hydrochloride

C23H29ClN4O — CID 119696316

IUPAC3-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylbutanamide;hydrochloride
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)CC(C)N)cc1C.Cl
InChIInChI=1S/C23H28N4O.ClH/c1-16-10-11-19(12-17(16)2)23-20(14-26(4)22(28)13-18(3)24)15-27(25-23)21-8-6-5-7-9-21;/h5-12,15,18H,13-14,24H2,1-4H3;1H
InChIKeyGGVHMJUFHJFJBM-UHFFFAOYSA-N
MW412.97 g/mol
LogP4.27
Rot. Bonds6

About 3-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylbutanamide;hydrochloride

3-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylbutanamide;hydrochloride (PubChem CID 119696316) has the molecular formula C23H29ClN4O and a molecular weight of 412.97 g/mol. Its IUPAC name is 3-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylbutanamide;hydrochloride
PubChem CID119696316
Molecular FormulaC23H29ClN4O
Molecular Weight412.97 g/mol
Exact Mass412.20
IUPAC Name3-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylbutanamide;hydrochloride
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)CC(C)N)cc1C.Cl
InChIInChI=1S/C23H28N4O.ClH/c1-16-10-11-19(12-17(16)2)23-20(14-26(4)22(28)13-18(3)24)15-27(25-23)21-8-6-5-7-9-21;/h5-12,15,18H,13-14,24H2,1-4H3;1H
InChIKeyGGVHMJUFHJFJBM-UHFFFAOYSA-N
XLogP4.27
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.97
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-2-imidazol-1-yl-N-methylpropanamide
CID 47047950
N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylpyridine-3-carboxamide
CID 32688509
N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 41277650
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide
CID 46523369
2-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylsulfanyl]acetic acid
CID 34881763
3-amino-N-[[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]methyl]-N-methylbutanamide;hydrochloride
CID 119689128
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119688729
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32771148
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119689500
[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl 4-ethoxybenzoate
CID 2505023
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide
CID 9140809
[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl (2R)-2-(3,3,3-trifluoropropanoylamino)propanoate
CID 51966733

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylbutanamide;hydrochloride (CID 119696316) is 3-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylbutanamide;hydrochloride is Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)CC(C)N)cc1C.Cl.
What is the InChIKey of 3-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylbutanamide;hydrochloride?
The InChIKey is GGVHMJUFHJFJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O.ClH/c1-16-10-11-19(12-17(16)2)23-20(14-26(4)22(28)13-18(3)24)15-27(25-23)21-8-6-5-7-9-21;/h5-12,15,18H,13-14,24H2,1-4H3;1H.
What are the key properties of 3-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylbutanamide;hydrochloride?
3-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylbutanamide;hydrochloride has a molecular weight of 412.97 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 119696316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).