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

C23H29ClN4O2 — CID 120983998

IUPAC2-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-methylpropanamide;hydrochloride
SMILESCOCC(N)C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1.Cl
InChIInChI=1S/C23H28N4O2.ClH/c1-16-10-11-18(12-17(16)2)22-19(13-26(3)23(28)21(24)15-29-4)14-27(25-22)20-8-6-5-7-9-20;/h5-12,14,21H,13,15,24H2,1-4H3;1H
InChIKeyKODHKLFLARZFLW-UHFFFAOYSA-N
MW428.96 g/mol
LogP3.51
Rot. Bonds7

About 2-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-methylpropanamide;hydrochloride

2-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-methylpropanamide;hydrochloride (PubChem CID 120983998) has the molecular formula C23H29ClN4O2 and a molecular weight of 428.96 g/mol. Its IUPAC name is 2-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-methylpropanamide;hydrochloride
PubChem CID120983998
Molecular FormulaC23H29ClN4O2
Molecular Weight428.96 g/mol
Exact Mass428.20
IUPAC Name2-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-methylpropanamide;hydrochloride
SMILESCOCC(N)C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1.Cl
InChIInChI=1S/C23H28N4O2.ClH/c1-16-10-11-18(12-17(16)2)22-19(13-26(3)23(28)21(24)15-29-4)14-27(25-22)20-8-6-5-7-9-20;/h5-12,14,21H,13,15,24H2,1-4H3;1H
InChIKeyKODHKLFLARZFLW-UHFFFAOYSA-N
XLogP3.51
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-methylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-methylpropanamide;hydrochloride (CID 120983998) is 2-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-methylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-methylpropanamide;hydrochloride is COCC(N)C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1.Cl.
What is the InChIKey of 2-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-methylpropanamide;hydrochloride?
The InChIKey is KODHKLFLARZFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2.ClH/c1-16-10-11-18(12-17(16)2)22-19(13-26(3)23(28)21(24)15-29-4)14-27(25-22)20-8-6-5-7-9-20;/h5-12,14,21H,13,15,24H2,1-4H3;1H.
What are the key properties of 2-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-methylpropanamide;hydrochloride?
2-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-methylpropanamide;hydrochloride has a molecular weight of 428.96 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 120983998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).