3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid

C14H15N3O3 — CID 19506568

IUPAC3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCc1ccc(NC(=O)c2ccn(CCC(=O)O)n2)cc1
InChIInChI=1S/C14H15N3O3/c1-10-2-4-11(5-3-10)15-14(20)12-6-8-17(16-12)9-7-13(18)19/h2-6,8H,7,9H2,1H3,(H,15,20)(H,18,19)
InChIKeySDSGBBREOUZDGW-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.92
Rot. Bonds5

About 3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid

3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19506568) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19506568
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCc1ccc(NC(=O)c2ccn(CCC(=O)O)n2)cc1
InChIInChI=1S/C14H15N3O3/c1-10-2-4-11(5-3-10)15-14(20)12-6-8-17(16-12)9-7-13(18)19/h2-6,8H,7,9H2,1H3,(H,15,20)(H,18,19)
InChIKeySDSGBBREOUZDGW-UHFFFAOYSA-N
XLogP1.92
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(4-acetylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506493
3-[3-[[4-chloro-1-[(4-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19470444
3-[3-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506486
3-[3-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506688
3-[3-[(1-benzylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506527
2-[3-[(3,5-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500034
3-[3-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19506557
3-[3-[(2,6-dibromo-4-fluorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506479
1-(methoxymethyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19270816
3-[3-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19623635
1-[3-(3-chloro-4-methylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470648
2-[3-(pyridin-4-ylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19500075

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid (CID 19506568) is 3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid is Cc1ccc(NC(=O)c2ccn(CCC(=O)O)n2)cc1.
What is the InChIKey of 3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is SDSGBBREOUZDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10-2-4-11(5-3-10)15-14(20)12-6-8-17(16-12)9-7-13(18)19/h2-6,8H,7,9H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid?
3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 273.29 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19506568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).