4-[4-[5-(4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxobutanoic acid

C23H25N5O3 — CID 71191185

IUPAC4-[4-[5-(4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxobutanoic acid
SMILESCc1ccc(-c2[nH]nc(N3CCN(C(=O)CCC(=O)O)CC3)c2-c2ccncc2)cc1
InChIInChI=1S/C23H25N5O3/c1-16-2-4-18(5-3-16)22-21(17-8-10-24-11-9-17)23(26-25-22)28-14-12-27(13-15-28)19(29)6-7-20(30)31/h2-5,8-11H,6-7,12-15H2,1H3,(H,25,26)(H,30,31)
InChIKeyVXZPQPPKCRQTTI-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.96
Rot. Bonds6

About 4-[4-[5-(4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxobutanoic acid

4-[4-[5-(4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxobutanoic acid (PubChem CID 71191185) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 4-[4-[5-(4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-[5-(4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxobutanoic acid
PubChem CID71191185
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name4-[4-[5-(4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxobutanoic acid
SMILESCc1ccc(-c2[nH]nc(N3CCN(C(=O)CCC(=O)O)CC3)c2-c2ccncc2)cc1
InChIInChI=1S/C23H25N5O3/c1-16-2-4-18(5-3-16)22-21(17-8-10-24-11-9-17)23(26-25-22)28-14-12-27(13-15-28)19(29)6-7-20(30)31/h2-5,8-11H,6-7,12-15H2,1H3,(H,25,26)(H,30,31)
InChIKeyVXZPQPPKCRQTTI-UHFFFAOYSA-N
XLogP2.96
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-[5-(4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxobutanoic 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

sodium;4-[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxobutanoic acid;3-[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]sulfinylpropanoic acid;hydrate
CID 157138552
sodium 4-[4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxobutanoate
CID 139926086
4-[4-(4-methylbenzoyl)piperazin-1-yl]-4-oxobutanoic acid
CID 4739681
1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione
CID 26758333
1-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperidin-4-amine
CID 57304022
4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-1,2-dimethylpiperazine
CID 22037585
5-oxo-5-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid
CID 134069474
4-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazine-2-carboxamide
CID 22037760
4-oxo-4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butanoic acid
CID 2741588
2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 27647685
N-(4-methylphenyl)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113123989
2-[5-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]-3,4-dihydro-1H-isoquinoline
CID 22953665

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[4-[5-(4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxobutanoic acid (CID 71191185) is 4-[4-[5-(4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-[5-(4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[4-[5-(4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxobutanoic acid is Cc1ccc(-c2[nH]nc(N3CCN(C(=O)CCC(=O)O)CC3)c2-c2ccncc2)cc1.
What is the InChIKey of 4-[4-[5-(4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxobutanoic acid?
The InChIKey is VXZPQPPKCRQTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-16-2-4-18(5-3-16)22-21(17-8-10-24-11-9-17)23(26-25-22)28-14-12-27(13-15-28)19(29)6-7-20(30)31/h2-5,8-11H,6-7,12-15H2,1H3,(H,25,26)(H,30,31).
What are the key properties of 4-[4-[5-(4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxobutanoic acid?
4-[4-[5-(4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxobutanoic acid has a molecular weight of 419.49 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-yl]piperazin-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 71191185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).