2-[4-[(4-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid

C14H15N3O4 — CID 19622155

IUPAC2-[4-[(4-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCOc1ccc(NC(=O)c2cnn(C(C)C(=O)O)c2)cc1
InChIInChI=1S/C14H15N3O4/c1-9(14(19)20)17-8-10(7-15-17)13(18)16-11-3-5-12(21-2)6-4-11/h3-9H,1-2H3,(H,16,18)(H,19,20)
InChIKeySBTNJSVDQMDLTA-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.79
Rot. Bonds5

About 2-[4-[(4-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid

2-[4-[(4-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19622155) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[4-[(4-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[(4-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19622155
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-[4-[(4-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCOc1ccc(NC(=O)c2cnn(C(C)C(=O)O)c2)cc1
InChIInChI=1S/C14H15N3O4/c1-9(14(19)20)17-8-10(7-15-17)13(18)16-11-3-5-12(21-2)6-4-11/h3-9H,1-2H3,(H,16,18)(H,19,20)
InChIKeySBTNJSVDQMDLTA-UHFFFAOYSA-N
XLogP1.79
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[3,5-bis(methoxycarbonyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19502866
2-(4-carbamoylpyrazol-1-yl)propanoic acid
CID 19623315
4-amino-N-(4-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642223
N-(4-methoxyphenyl)-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223486
N-[4-(3-phenylpropanoylamino)phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 131905156
4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide
CID 38761721
1-[6-(benzylamino)pyrimidin-4-yl]-N-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 171358486
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250209
N-(4-methoxyphenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242133
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[4-[(4-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid (CID 19622155) is 2-[4-[(4-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[(4-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[(4-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid is COc1ccc(NC(=O)c2cnn(C(C)C(=O)O)c2)cc1.
What is the InChIKey of 2-[4-[(4-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is SBTNJSVDQMDLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-9(14(19)20)17-8-10(7-15-17)13(18)16-11-3-5-12(21-2)6-4-11/h3-9H,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[4-[(4-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid?
2-[4-[(4-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 289.29 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19622155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).