(2R)-N-[2-acetamido-5-(1H-pyrazol-4-yl)phenyl]-2-amino-3-(3-fluorophenyl)propanamide

C20H20FN5O2 — CID 117074618

IUPAC(2R)-N-[2-acetamido-5-(1H-pyrazol-4-yl)phenyl]-2-amino-3-(3-fluorophenyl)propanamide
SMILESCC(=O)Nc1ccc(-c2cn[nH]c2)cc1NC(=O)[C@H](N)Cc1cccc(F)c1
InChIInChI=1S/C20H20FN5O2/c1-12(27)25-18-6-5-14(15-10-23-24-11-15)9-19(18)26-20(28)17(22)8-13-3-2-4-16(21)7-13/h2-7,9-11,17H,8,22H2,1H3,(H,23,24)(H,25,27)(H,26,28)/t17-/m1/s1
InChIKeyFZGUHKLOTLBTBH-QGZVFWFLSA-N
MW381.41 g/mol
LogP2.68
Rot. Bonds6

About (2R)-N-[2-acetamido-5-(1H-pyrazol-4-yl)phenyl]-2-amino-3-(3-fluorophenyl)propanamide

(2R)-N-[2-acetamido-5-(1H-pyrazol-4-yl)phenyl]-2-amino-3-(3-fluorophenyl)propanamide (PubChem CID 117074618) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is (2R)-N-[2-acetamido-5-(1H-pyrazol-4-yl)phenyl]-2-amino-3-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-N-[2-acetamido-5-(1H-pyrazol-4-yl)phenyl]-2-amino-3-(3-fluorophenyl)propanamide
PubChem CID117074618
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name(2R)-N-[2-acetamido-5-(1H-pyrazol-4-yl)phenyl]-2-amino-3-(3-fluorophenyl)propanamide
SMILESCC(=O)Nc1ccc(-c2cn[nH]c2)cc1NC(=O)[C@H](N)Cc1cccc(F)c1
InChIInChI=1S/C20H20FN5O2/c1-12(27)25-18-6-5-14(15-10-23-24-11-15)9-19(18)26-20(28)17(22)8-13-3-2-4-16(21)7-13/h2-7,9-11,17H,8,22H2,1H3,(H,23,24)(H,25,27)(H,26,28)/t17-/m1/s1
InChIKeyFZGUHKLOTLBTBH-QGZVFWFLSA-N
XLogP2.68
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[2-[2-(dimethylamino)ethoxy]-5-fluoro-4-(1H-pyrazol-4-yl)phenyl]-3-(3-fluorophenyl)propanamide;tris(2,2,2-trifluoroacetic acid)
CID 117075491
2-amino-N-(2,4-difluorophenyl)-3-phenylpropanamide
CID 24708745
2-amino-3-(3-fluorophenyl)-N',N'-dimethylpropanehydrazide
CID 116849968
2-amino-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 118625559
(2S)-2-amino-N-(3-fluorophenyl)-3-phenylpropanamide
CID 22691298
(2R)-2-amino-3-(3-fluorophenyl)propanamide
CID 102314592
propan-2-yl (2S)-2-amino-3-(3-fluorophenyl)propanoate
CID 67419664
(1R)-2-(3-fluorophenyl)-1-[6-(1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]ethanamine
CID 58164226
(2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide
CID 110837650
2-amino-N-(2-amino-5-fluorophenyl)-3-phenylpropanamide
CID 110483797
ethyl 2-amino-3-[3-(4-fluorophenyl)phenyl]propanoate
CID 170884879
1-[(3-fluorophenyl)methyl]-3-[2-(2-morpholin-4-ylethoxy)-4-(1H-pyrazol-4-yl)phenyl]urea;bis(2,2,2-trifluoroacetic acid)
CID 117076875

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-acetamido-5-(1H-pyrazol-4-yl)phenyl]-2-amino-3-(3-fluorophenyl)propanamide?
The IUPAC name of (2R)-N-[2-acetamido-5-(1H-pyrazol-4-yl)phenyl]-2-amino-3-(3-fluorophenyl)propanamide (CID 117074618) is (2R)-N-[2-acetamido-5-(1H-pyrazol-4-yl)phenyl]-2-amino-3-(3-fluorophenyl)propanamide.
What is the SMILES notation for (2R)-N-[2-acetamido-5-(1H-pyrazol-4-yl)phenyl]-2-amino-3-(3-fluorophenyl)propanamide?
The canonical SMILES for (2R)-N-[2-acetamido-5-(1H-pyrazol-4-yl)phenyl]-2-amino-3-(3-fluorophenyl)propanamide is CC(=O)Nc1ccc(-c2cn[nH]c2)cc1NC(=O)[C@H](N)Cc1cccc(F)c1.
What is the InChIKey of (2R)-N-[2-acetamido-5-(1H-pyrazol-4-yl)phenyl]-2-amino-3-(3-fluorophenyl)propanamide?
The InChIKey is FZGUHKLOTLBTBH-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-12(27)25-18-6-5-14(15-10-23-24-11-15)9-19(18)26-20(28)17(22)8-13-3-2-4-16(21)7-13/h2-7,9-11,17H,8,22H2,1H3,(H,23,24)(H,25,27)(H,26,28)/t17-/m1/s1.
What are the key properties of (2R)-N-[2-acetamido-5-(1H-pyrazol-4-yl)phenyl]-2-amino-3-(3-fluorophenyl)propanamide?
(2R)-N-[2-acetamido-5-(1H-pyrazol-4-yl)phenyl]-2-amino-3-(3-fluorophenyl)propanamide has a molecular weight of 381.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-acetamido-5-(1H-pyrazol-4-yl)phenyl]-2-amino-3-(3-fluorophenyl)propanamide is sourced from PubChem (CID 117074618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).