(2S)-2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]propanamide

C21H24N4O — CID 29181710

IUPAC(2S)-2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]propanamide
SMILESCc1ccc(-n2cc(CN[C@@H](C)C(N)=O)c(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C21H24N4O/c1-14-7-9-19(10-8-14)25-13-18(12-23-16(3)21(22)26)20(24-25)17-6-4-5-15(2)11-17/h4-11,13,16,23H,12H2,1-3H3,(H2,22,26)/t16-/m0/s1
InChIKeyZSNKEDRQCYUVTC-INIZCTEOSA-N
MW348.45 g/mol
LogP3.12
Rot. Bonds6

About (2S)-2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]propanamide

(2S)-2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]propanamide (PubChem CID 29181710) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is (2S)-2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]propanamide
PubChem CID29181710
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name(2S)-2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]propanamide
SMILESCc1ccc(-n2cc(CN[C@@H](C)C(N)=O)c(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C21H24N4O/c1-14-7-9-19(10-8-14)25-13-18(12-23-16(3)21(22)26)20(24-25)17-6-4-5-15(2)11-17/h4-11,13,16,23H,12H2,1-3H3,(H2,22,26)/t16-/m0/s1
InChIKeyZSNKEDRQCYUVTC-INIZCTEOSA-N
XLogP3.12
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 3-(3-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 7796860
3-imidazol-1-yl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine
CID 42197487
(1S)-N-methyl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(1,2-oxazol-3-yl)ethanamine
CID 42194996
[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanamine
CID 28910773
N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-2-(triazolidin-4-ylsulfanyl)ethanamine
CID 52974860
N-(2-hydroxypropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 78802788
2-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylamino]propanoic acid
CID 120913301
N-(3-amino-2-methylpropyl)-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119998111
4-[[[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962970
4-(2-methoxyethoxy)-1-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]piperidine
CID 42243755
[2-(carbamoylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxylate
CID 7800945
(2R)-2-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-methylsulfanylpropanoic acid
CID 46901840

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]propanamide?
The IUPAC name of (2S)-2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]propanamide (CID 29181710) is (2S)-2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]propanamide.
What is the SMILES notation for (2S)-2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]propanamide?
The canonical SMILES for (2S)-2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]propanamide is Cc1ccc(-n2cc(CN[C@@H](C)C(N)=O)c(-c3cccc(C)c3)n2)cc1.
What is the InChIKey of (2S)-2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]propanamide?
The InChIKey is ZSNKEDRQCYUVTC-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14-7-9-19(10-8-14)25-13-18(12-23-16(3)21(22)26)20(24-25)17-6-4-5-15(2)11-17/h4-11,13,16,23H,12H2,1-3H3,(H2,22,26)/t16-/m0/s1.
What are the key properties of (2S)-2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]propanamide?
(2S)-2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]propanamide has a molecular weight of 348.45 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]propanamide is sourced from PubChem (CID 29181710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).