(2S)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-4-phenylbutanamide

C20H22N4O2 — CID 118625573

IUPAC(2S)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-4-phenylbutanamide
SMILESCOc1cc(NC(=O)[C@@H](N)CCc2ccccc2)ccc1-c1cn[nH]c1
InChIInChI=1S/C20H22N4O2/c1-26-19-11-16(8-9-17(19)15-12-22-23-13-15)24-20(25)18(21)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-13,18H,7,10,21H2,1H3,(H,22,23)(H,24,25)/t18-/m0/s1
InChIKeyONZAMBWLADUDER-SFHVURJKSA-N
MW350.42 g/mol
LogP2.98
Rot. Bonds7

About (2S)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-4-phenylbutanamide

(2S)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-4-phenylbutanamide (PubChem CID 118625573) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-4-phenylbutanamide
PubChem CID118625573
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(2S)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-4-phenylbutanamide
SMILESCOc1cc(NC(=O)[C@@H](N)CCc2ccccc2)ccc1-c1cn[nH]c1
InChIInChI=1S/C20H22N4O2/c1-26-19-11-16(8-9-17(19)15-12-22-23-13-15)24-20(25)18(21)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-13,18H,7,10,21H2,1H3,(H,22,23)(H,24,25)/t18-/m0/s1
InChIKeyONZAMBWLADUDER-SFHVURJKSA-N
XLogP2.98
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-4-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-(1H-pyrazol-4-yl)phenyl)chroman-3-carboxamide
CID 25154768
N-(4-(1H-pyrazol-4-yl)phenyl)-6-methoxychroman-3-carboxamide
CID 42629959
N-(2-fluoro-4-(1H-pyrazol-4-yl)phenyl)chroman-3-carboxamide
CID 44124543
N-(3-(2-(dimethylamino)ethoxy)-4-(1H-pyrazol-4-yl)phenyl)chroman-3-carboxamide
CID 44124544
6-methoxy-N-(3-methoxy-4-(1H-pyrazol-4-yl)phenyl)chroman-3-carboxamide
CID 44571471
N-(3-methoxy-4-(1H-pyrazol-4-yl)phenyl)chroman-3-carboxamide
CID 44571520
N-(3,5-difluoro-4-(1H-pyrazol-4-yl)phenyl)chroman-3-carboxamide
CID 44571521
N-(2-fluoro-5-methoxy-4-(1H-pyrazol-4-yl)phenyl)chroman-3-carboxamide
CID 44571557
N-(4-(1H-pyrazol-4-yl)phenyl)-6-fluorochroman-3-carboxamide
CID 44571597
N-(4-(1H-pyrazol-4-yl)phenyl)-6-methylchroman-3-carboxamide
CID 44571599
6-fluoro-N-(3-methoxy-4-(1H-pyrazol-4-yl)phenyl)chroman-3-carboxamide
CID 44571682
6-chloro-N-(3-methoxy-4-(1H-pyrazol-4-yl)phenyl)chroman-3-carboxamide
CID 44571731

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-4-phenylbutanamide (CID 118625573) is (2S)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-4-phenylbutanamide is COc1cc(NC(=O)[C@@H](N)CCc2ccccc2)ccc1-c1cn[nH]c1.
What is the InChIKey of (2S)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-4-phenylbutanamide?
The InChIKey is ONZAMBWLADUDER-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-26-19-11-16(8-9-17(19)15-12-22-23-13-15)24-20(25)18(21)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-13,18H,7,10,21H2,1H3,(H,22,23)(H,24,25)/t18-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-4-phenylbutanamide?
(2S)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-4-phenylbutanamide has a molecular weight of 350.42 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-4-phenylbutanamide is sourced from PubChem (CID 118625573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).