4-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-3-ylbutanoic acid

C19H19N3O2 — CID 110447349

IUPAC4-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-3-ylbutanoic acid
SMILESCn1cc(-c2ccc(CC(CC(=O)O)c3cccnc3)cc2)cn1
InChIInChI=1S/C19H19N3O2/c1-22-13-18(12-21-22)15-6-4-14(5-7-15)9-17(10-19(23)24)16-3-2-8-20-11-16/h2-8,11-13,17H,9-10H2,1H3,(H,23,24)
InChIKeyNDAHCVZPZSTHOA-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.28
Rot. Bonds6

About 4-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-3-ylbutanoic acid

4-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-3-ylbutanoic acid (PubChem CID 110447349) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-3-ylbutanoic acid.

Molecular Properties

Compound Name4-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-3-ylbutanoic acid
PubChem CID110447349
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-3-ylbutanoic acid
SMILESCn1cc(-c2ccc(CC(CC(=O)O)c3cccnc3)cc2)cn1
InChIInChI=1S/C19H19N3O2/c1-22-13-18(12-21-22)15-6-4-14(5-7-15)9-17(10-19(23)24)16-3-2-8-20-11-16/h2-8,11-13,17H,9-10H2,1H3,(H,23,24)
InChIKeyNDAHCVZPZSTHOA-UHFFFAOYSA-N
XLogP3.28
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-3-ylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoic acid
CID 22496064
(Z)-4-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-3-ylbut-2-enoic acid
CID 110447021
ethyl 4-(4-hydroxyphenyl)-3-pyridin-3-ylbutanoate
CID 22496088
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
3-(1-methylpyrazol-4-yl)pyridine;dihydrochloride
CID 119106449
2-[4-(2-pyridin-3-ylpropyl)phenyl]acetic acid
CID 139662203
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
1-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-2-pyridin-3-ylethanone
CID 157130590
4-(4-hydroxyphenyl)-3-phenylbutanoic acid
CID 18772164
3-(dimethylamino)-3-pyridin-3-ylpropanoic acid
CID 64526600
2-bromo-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
CID 139416919
3,4-diamino-4-pyridin-3-ylbutanoic acid
CID 116942862

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-3-ylbutanoic acid?
The IUPAC name of 4-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-3-ylbutanoic acid (CID 110447349) is 4-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-3-ylbutanoic acid.
What is the SMILES notation for 4-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-3-ylbutanoic acid?
The canonical SMILES for 4-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-3-ylbutanoic acid is Cn1cc(-c2ccc(CC(CC(=O)O)c3cccnc3)cc2)cn1.
What is the InChIKey of 4-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-3-ylbutanoic acid?
The InChIKey is NDAHCVZPZSTHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-22-13-18(12-21-22)15-6-4-14(5-7-15)9-17(10-19(23)24)16-3-2-8-20-11-16/h2-8,11-13,17H,9-10H2,1H3,(H,23,24).
What are the key properties of 4-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-3-ylbutanoic acid?
4-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-3-ylbutanoic acid has a molecular weight of 321.38 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridin-3-ylbutanoic acid is sourced from PubChem (CID 110447349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).