3-cyclopropyl-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid

C16H17N3O4 — CID 90094076

IUPAC3-cyclopropyl-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid
SMILESO=C(O)CC(NC(=O)c1cc(=O)n(-c2ccccc2)[nH]1)C1CC1
InChIInChI=1S/C16H17N3O4/c20-14-8-13(18-19(14)11-4-2-1-3-5-11)16(23)17-12(9-15(21)22)10-6-7-10/h1-5,8,10,12,18H,6-7,9H2,(H,17,23)(H,21,22)
InChIKeyZORNOGAEVBEUIH-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.15
Rot. Bonds6

About 3-cyclopropyl-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid

3-cyclopropyl-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid (PubChem CID 90094076) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 3-cyclopropyl-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid
PubChem CID90094076
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name3-cyclopropyl-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid
SMILESO=C(O)CC(NC(=O)c1cc(=O)n(-c2ccccc2)[nH]1)C1CC1
InChIInChI=1S/C16H17N3O4/c20-14-8-13(18-19(14)11-4-2-1-3-5-11)16(23)17-12(9-15(21)22)10-6-7-10/h1-5,8,10,12,18H,6-7,9H2,(H,17,23)(H,21,22)
InChIKeyZORNOGAEVBEUIH-UHFFFAOYSA-N
XLogP1.15
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid
CID 90094203
3-(2-methylphenyl)-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid
CID 78071828
3-(3,5-difluorophenyl)-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid
CID 90093608
N-ethyl-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 54252922
3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]-3-(4-phenoxyphenyl)propanoic acid
CID 71449893
3-(3-methylphenyl)-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid
CID 90093939
N-[(1R,3R)-3-aminocyclopentyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 56740333
3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid
CID 90093914
3-cyclopropyl-3-[(5-phenyl-1H-indole-2-carbonyl)amino]propanoic acid
CID 167841934
3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]-3-(4-pyridin-2-ylphenyl)propanoic acid
CID 90093286
(3S)-3-[[2-(4-fluorophenyl)-3-oxo-1H-pyrazole-5-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 71449892
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 99937966

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid (CID 90094076) is 3-cyclopropyl-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid is O=C(O)CC(NC(=O)c1cc(=O)n(-c2ccccc2)[nH]1)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid?
The InChIKey is ZORNOGAEVBEUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c20-14-8-13(18-19(14)11-4-2-1-3-5-11)16(23)17-12(9-15(21)22)10-6-7-10/h1-5,8,10,12,18H,6-7,9H2,(H,17,23)(H,21,22).
What are the key properties of 3-cyclopropyl-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid?
3-cyclopropyl-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid has a molecular weight of 315.33 g/mol, XLogP of 1.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 90094076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).