2-[3-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]acetic acid

C18H16N4O3 — CID 19501958

IUPAC2-[3-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)n1
InChIInChI=1S/C18H16N4O3/c23-17(24)12-22-10-7-16(21-22)18(25)20-15-3-1-13(2-4-15)11-14-5-8-19-9-6-14/h1-10H,11-12H2,(H,20,25)(H,23,24)
InChIKeyARVJJPQXQSMNET-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.21
Rot. Bonds6

About 2-[3-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]acetic acid

2-[3-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]acetic acid (PubChem CID 19501958) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-[3-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]acetic acid
PubChem CID19501958
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name2-[3-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)n1
InChIInChI=1S/C18H16N4O3/c23-17(24)12-22-10-7-16(21-22)18(25)20-15-3-1-13(2-4-15)11-14-5-8-19-9-6-14/h1-10H,11-12H2,(H,20,25)(H,23,24)
InChIKeyARVJJPQXQSMNET-UHFFFAOYSA-N
XLogP2.21
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(pyridin-4-ylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19500075
1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 136522811
2-[3-[(3,4-difluorophenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500090
2-[3-[(3-chloro-4-methylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500163
2-[3-[(3,5-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500034
1-(phenoxymethyl)-N-pyridin-4-ylpyrazole-3-carboxamide
CID 19271051
3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506568
3-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide
CID 136539853
3-[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19491929
2-[3-(2-phenylethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19623363
3-[3-[(4-acetylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506493
1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide
CID 154079523

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]acetic acid (CID 19501958) is 2-[3-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]acetic acid is O=C(O)Cn1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)n1.
What is the InChIKey of 2-[3-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is ARVJJPQXQSMNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c23-17(24)12-22-10-7-16(21-22)18(25)20-15-3-1-13(2-4-15)11-14-5-8-19-9-6-14/h1-10H,11-12H2,(H,20,25)(H,23,24).
What are the key properties of 2-[3-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]acetic acid?
2-[3-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 336.35 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19501958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).