3-[4-[(4-propan-2-ylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid

C16H19N3O3 — CID 19471152

IUPAC3-[4-[(4-propan-2-ylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCC(C)c1ccc(NC(=O)c2cnn(CCC(=O)O)c2)cc1
InChIInChI=1S/C16H19N3O3/c1-11(2)12-3-5-14(6-4-12)18-16(22)13-9-17-19(10-13)8-7-15(20)21/h3-6,9-11H,7-8H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyJBLSCILPQZIUAR-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.73
Rot. Bonds6

About 3-[4-[(4-propan-2-ylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid

3-[4-[(4-propan-2-ylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19471152) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[4-[(4-propan-2-ylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(4-propan-2-ylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19471152
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-[4-[(4-propan-2-ylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCC(C)c1ccc(NC(=O)c2cnn(CCC(=O)O)c2)cc1
InChIInChI=1S/C16H19N3O3/c1-11(2)12-3-5-14(6-4-12)18-16(22)13-9-17-19(10-13)8-7-15(20)21/h3-6,9-11H,7-8H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyJBLSCILPQZIUAR-UHFFFAOYSA-N
XLogP2.73
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[[4-(diethylamino)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471097
3-[4-[(3,4-dichlorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471125
3-[4-[[4-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471272
3-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471366
3-[4-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471099
3-[4-[(4-methyl-3,5-dinitrophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471305
3-[4-[[1-[(4-bromophenyl)methyl]pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471227
1-[3-(4-acetamidoanilino)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19482893
3-[4-[(4-propan-2-ylphenyl)carbamoyl]phenyl]propanoic acid
CID 28760251
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
3-[4-[[1-ethyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471418
2-(4-aminopyrazol-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 43445342

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-propan-2-ylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-[(4-propan-2-ylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid (CID 19471152) is 3-[4-[(4-propan-2-ylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[(4-propan-2-ylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[(4-propan-2-ylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid is CC(C)c1ccc(NC(=O)c2cnn(CCC(=O)O)c2)cc1.
What is the InChIKey of 3-[4-[(4-propan-2-ylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is JBLSCILPQZIUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11(2)12-3-5-14(6-4-12)18-16(22)13-9-17-19(10-13)8-7-15(20)21/h3-6,9-11H,7-8H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 3-[4-[(4-propan-2-ylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid?
3-[4-[(4-propan-2-ylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 301.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-propan-2-ylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19471152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).