(2S)-2-methoxy-2-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide

C20H21N3O2 — CID 95309999

IUPAC(2S)-2-methoxy-2-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESCO[C@](C)(C(=O)Nc1cccc(Cn2cccn2)c1)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-20(25-2,17-9-4-3-5-10-17)19(24)22-18-11-6-8-16(14-18)15-23-13-7-12-21-23/h3-14H,15H2,1-2H3,(H,22,24)/t20-/m0/s1
InChIKeyCKVDXGIRWBHMHF-FQEVSTJZSA-N
MW335.41 g/mol
LogP3.43
Rot. Bonds6

About (2S)-2-methoxy-2-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide

(2S)-2-methoxy-2-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide (PubChem CID 95309999) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (2S)-2-methoxy-2-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-methoxy-2-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
PubChem CID95309999
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(2S)-2-methoxy-2-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESCO[C@](C)(C(=O)Nc1cccc(Cn2cccn2)c1)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-20(25-2,17-9-4-3-5-10-17)19(24)22-18-11-6-8-16(14-18)15-23-13-7-12-21-23/h3-14H,15H2,1-2H3,(H,22,24)/t20-/m0/s1
InChIKeyCKVDXGIRWBHMHF-FQEVSTJZSA-N
XLogP3.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(methylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 62836036
2-(2-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39695127
2-phenoxy-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 86929818
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
3-[[3-[(2-methoxy-2-phenylpropanoyl)amino]phenyl]methylsulfanyl]propanoic acid
CID 119241310
2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 79272205
(2S)-N-[(3-acetamidophenyl)methyl]-2-methoxy-2-phenylpropanamide
CID 95614299
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329
3,5-dimethoxy-4-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39695125
methyl 2-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate
CID 55603773
(2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61172469
tert-butyl N-[2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]carbamate
CID 103817970

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-methoxy-2-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide (CID 95309999) is (2S)-2-methoxy-2-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-methoxy-2-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-methoxy-2-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide is CO[C@](C)(C(=O)Nc1cccc(Cn2cccn2)c1)c1ccccc1.
What is the InChIKey of (2S)-2-methoxy-2-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is CKVDXGIRWBHMHF-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-20(25-2,17-9-4-3-5-10-17)19(24)22-18-11-6-8-16(14-18)15-23-13-7-12-21-23/h3-14H,15H2,1-2H3,(H,22,24)/t20-/m0/s1.
What are the key properties of (2S)-2-methoxy-2-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide?
(2S)-2-methoxy-2-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 335.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2-phenyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 95309999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).