3-[5-[(2-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid

C14H15N3O4 — CID 19490105

IUPAC3-[5-[(2-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCOc1ccccc1NC(=O)c1ccnn1CCC(=O)O
InChIInChI=1S/C14H15N3O4/c1-21-12-5-3-2-4-10(12)16-14(20)11-6-8-15-17(11)9-7-13(18)19/h2-6,8H,7,9H2,1H3,(H,16,20)(H,18,19)
InChIKeyQAXHMZPNJBTKHZ-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.62
Rot. Bonds6

About 3-[5-[(2-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid

3-[5-[(2-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19490105) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-[5-[(2-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[(2-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19490105
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name3-[5-[(2-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCOc1ccccc1NC(=O)c1ccnn1CCC(=O)O
InChIInChI=1S/C14H15N3O4/c1-21-12-5-3-2-4-10(12)16-14(20)11-6-8-15-17(11)9-7-13(18)19/h2-6,8H,7,9H2,1H3,(H,16,20)(H,18,19)
InChIKeyQAXHMZPNJBTKHZ-UHFFFAOYSA-N
XLogP1.62
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-[(4-methyl-2-pyridinyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19489957
1-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenyl)urea
CID 2544645
4-[2-[(2-methoxyphenyl)carbamoyl]anilino]-4-oxobutanoic acid
CID 851954
3-[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491929
N-(2-methoxyphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040848
N-(2-methoxyphenyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 51054762
4-bromo-N-(2-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640762
N-(2-methoxyphenyl)furan-3-carboxamide
CID 17437625
N-(2-methoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691757
N-(2-methoxyphenyl)-1-methylindazole-3-carboxamide
CID 110859879
1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 78874158
2-[(2-methoxyphenyl)carbamoyl]benzoic acid
CID 762850

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-[(2-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid (CID 19490105) is 3-[5-[(2-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-[(2-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-[(2-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid is COc1ccccc1NC(=O)c1ccnn1CCC(=O)O.
What is the InChIKey of 3-[5-[(2-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is QAXHMZPNJBTKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-21-12-5-3-2-4-10(12)16-14(20)11-6-8-15-17(11)9-7-13(18)19/h2-6,8H,7,9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 3-[5-[(2-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid?
3-[5-[(2-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 289.29 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19490105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).