1-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid

C19H21N5O2 — CID 56902810

IUPAC1-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(n2cccn2)CCN(Cc2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C19H21N5O2/c25-18(26)19(24-10-4-9-20-24)7-11-22(12-8-19)14-16-13-21-23(15-16)17-5-2-1-3-6-17/h1-6,9-10,13,15H,7-8,11-12,14H2,(H,25,26)
InChIKeyYGDBPPIVEIURSG-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.14
Rot. Bonds5

About 1-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid

1-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56902810) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56902810
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(n2cccn2)CCN(Cc2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C19H21N5O2/c25-18(26)19(24-10-4-9-20-24)7-11-22(12-8-19)14-16-13-21-23(15-16)17-5-2-1-3-6-17/h1-6,9-10,13,15H,7-8,11-12,14H2,(H,25,26)
InChIKeyYGDBPPIVEIURSG-UHFFFAOYSA-N
XLogP2.14
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic 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

2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 119135361
(4S,5S)-9-[(1-phenylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-4,5-diol
CID 164698709
1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone
CID 16620987
1-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxylic acid
CID 43565278
ethyl 4-(2-phenoxyethyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxylate
CID 25454150
(2R)-N-(3-phenylpropyl)-6-[(1-phenylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42245962
1-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 95872007
(1-phenylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226792
3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one
CID 115696938
2-oxo-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 16787671
4-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 79422857
N-methyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119923189

Frequently Asked Questions

What is the IUPAC name of 1-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (CID 56902810) is 1-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is O=C(O)C1(n2cccn2)CCN(Cc2cnn(-c3ccccc3)c2)CC1.
What is the InChIKey of 1-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is YGDBPPIVEIURSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-18(26)19(24-10-4-9-20-24)7-11-22(12-8-19)14-16-13-21-23(15-16)17-5-2-1-3-6-17/h1-6,9-10,13,15H,7-8,11-12,14H2,(H,25,26).
What are the key properties of 1-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
1-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 351.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56902810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).