(2R)-N-(4-methylphenyl)-2-[(2-pyrazol-1-ylphenyl)methylamino]propanamide

C20H22N4O — CID 95148411

IUPAC(2R)-N-(4-methylphenyl)-2-[(2-pyrazol-1-ylphenyl)methylamino]propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)NCc2ccccc2-n2cccn2)cc1
InChIInChI=1S/C20H22N4O/c1-15-8-10-18(11-9-15)23-20(25)16(2)21-14-17-6-3-4-7-19(17)24-13-5-12-22-24/h3-13,16,21H,14H2,1-2H3,(H,23,25)/t16-/m1/s1
InChIKeyBGMLXTYVIKEIGM-MRXNPFEDSA-N
MW334.42 g/mol
LogP3.30
Rot. Bonds6

About (2R)-N-(4-methylphenyl)-2-[(2-pyrazol-1-ylphenyl)methylamino]propanamide

(2R)-N-(4-methylphenyl)-2-[(2-pyrazol-1-ylphenyl)methylamino]propanamide (PubChem CID 95148411) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (2R)-N-(4-methylphenyl)-2-[(2-pyrazol-1-ylphenyl)methylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-methylphenyl)-2-[(2-pyrazol-1-ylphenyl)methylamino]propanamide
PubChem CID95148411
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(2R)-N-(4-methylphenyl)-2-[(2-pyrazol-1-ylphenyl)methylamino]propanamide
SMILESCc1ccc(NC(=O)[C@@H](C)NCc2ccccc2-n2cccn2)cc1
InChIInChI=1S/C20H22N4O/c1-15-8-10-18(11-9-15)23-20(25)16(2)21-14-17-6-3-4-7-19(17)24-13-5-12-22-24/h3-13,16,21H,14H2,1-2H3,(H,23,25)/t16-/m1/s1
InChIKeyBGMLXTYVIKEIGM-MRXNPFEDSA-N
XLogP3.30
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-pyrazol-1-ylphenyl)methyl]but-3-yn-2-amine
CID 113482433
2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
CID 116677047
N-[(2-pyrazol-1-ylphenyl)methyl]heptan-4-amine
CID 61167489
N-methyl-3-[(2-pyrazol-1-ylphenyl)methylamino]propanamide
CID 62324592
2-(ethylamino)-N-(4-methylphenyl)propanamide
CID 3808367
N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide
CID 47454487
N-(4-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 134060372
N,N,2-trimethyl-5-[(2-pyrazol-1-ylphenyl)methylamino]benzamide
CID 71913359
2-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 62854534
N-[(2-pyrazol-1-ylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 61166529
4-amino-3-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 81087122
methyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate
CID 61167303

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methylphenyl)-2-[(2-pyrazol-1-ylphenyl)methylamino]propanamide?
The IUPAC name of (2R)-N-(4-methylphenyl)-2-[(2-pyrazol-1-ylphenyl)methylamino]propanamide (CID 95148411) is (2R)-N-(4-methylphenyl)-2-[(2-pyrazol-1-ylphenyl)methylamino]propanamide.
What is the SMILES notation for (2R)-N-(4-methylphenyl)-2-[(2-pyrazol-1-ylphenyl)methylamino]propanamide?
The canonical SMILES for (2R)-N-(4-methylphenyl)-2-[(2-pyrazol-1-ylphenyl)methylamino]propanamide is Cc1ccc(NC(=O)[C@@H](C)NCc2ccccc2-n2cccn2)cc1.
What is the InChIKey of (2R)-N-(4-methylphenyl)-2-[(2-pyrazol-1-ylphenyl)methylamino]propanamide?
The InChIKey is BGMLXTYVIKEIGM-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-8-10-18(11-9-15)23-20(25)16(2)21-14-17-6-3-4-7-19(17)24-13-5-12-22-24/h3-13,16,21H,14H2,1-2H3,(H,23,25)/t16-/m1/s1.
What are the key properties of (2R)-N-(4-methylphenyl)-2-[(2-pyrazol-1-ylphenyl)methylamino]propanamide?
(2R)-N-(4-methylphenyl)-2-[(2-pyrazol-1-ylphenyl)methylamino]propanamide has a molecular weight of 334.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methylphenyl)-2-[(2-pyrazol-1-ylphenyl)methylamino]propanamide is sourced from PubChem (CID 95148411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).