3-[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid

C19H18N4O3 — CID 19491929

IUPAC3-[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1nccc1C(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C19H18N4O3/c24-18(25)8-12-23-17(7-11-21-23)19(26)22-16-3-1-14(2-4-16)13-15-5-9-20-10-6-15/h1-7,9-11H,8,12-13H2,(H,22,26)(H,24,25)
InChIKeyTZXCLOHJYKILHM-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.60
Rot. Bonds7

About 3-[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid

3-[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19491929) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19491929
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name3-[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1nccc1C(=O)Nc1ccc(Cc2ccncc2)cc1
InChIInChI=1S/C19H18N4O3/c24-18(25)8-12-23-17(7-11-21-23)19(26)22-16-3-1-14(2-4-16)13-15-5-9-20-10-6-15/h1-7,9-11H,8,12-13H2,(H,22,26)(H,24,25)
InChIKeyTZXCLOHJYKILHM-UHFFFAOYSA-N
XLogP2.60
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19490016
3-[5-[(3-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19490113
3-[5-[[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491840
3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide
CID 136539853
2-(2-carboxyethyl)pyrazole-3-carboxylic acid
CID 19494074
2-[3-(4-ethylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492092
N-phenyl-2-propylpyrazole-3-carboxamide
CID 39891941
1-[3-oxo-3-[4-(pyridin-4-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid
CID 19483193
3-[5-[(4-methyl-2-pyridinyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19489957
3-[5-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491822
3-[5-[(2-methoxyphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19490105
3-[5-[(5-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19490170

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid (CID 19491929) is 3-[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid is O=C(O)CCn1nccc1C(=O)Nc1ccc(Cc2ccncc2)cc1.
What is the InChIKey of 3-[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is TZXCLOHJYKILHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-18(25)8-12-23-17(7-11-21-23)19(26)22-16-3-1-14(2-4-16)13-15-5-9-20-10-6-15/h1-7,9-11H,8,12-13H2,(H,22,26)(H,24,25).
What are the key properties of 3-[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid?
3-[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 350.38 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19491929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).