5-(1-methylpyrazol-4-yl)-1-(5-phenylpyrazin-2-yl)piperidine-3-carboxylic acid

C20H21N5O2 — CID 167898509

IUPAC5-(1-methylpyrazol-4-yl)-1-(5-phenylpyrazin-2-yl)piperidine-3-carboxylic acid
SMILESCn1cc(C2CC(C(=O)O)CN(c3cnc(-c4ccccc4)cn3)C2)cn1
InChIInChI=1S/C20H21N5O2/c1-24-11-17(8-23-24)15-7-16(20(26)27)13-25(12-15)19-10-21-18(9-22-19)14-5-3-2-4-6-14/h2-6,8-11,15-16H,7,12-13H2,1H3,(H,26,27)
InChIKeyRFKHISNNYNHUPX-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.57
Rot. Bonds4

About 5-(1-methylpyrazol-4-yl)-1-(5-phenylpyrazin-2-yl)piperidine-3-carboxylic acid

5-(1-methylpyrazol-4-yl)-1-(5-phenylpyrazin-2-yl)piperidine-3-carboxylic acid (PubChem CID 167898509) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-1-(5-phenylpyrazin-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-1-(5-phenylpyrazin-2-yl)piperidine-3-carboxylic acid
PubChem CID167898509
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name5-(1-methylpyrazol-4-yl)-1-(5-phenylpyrazin-2-yl)piperidine-3-carboxylic acid
SMILESCn1cc(C2CC(C(=O)O)CN(c3cnc(-c4ccccc4)cn3)C2)cn1
InChIInChI=1S/C20H21N5O2/c1-24-11-17(8-23-24)15-7-16(20(26)27)13-25(12-15)19-10-21-18(9-22-19)14-5-3-2-4-6-14/h2-6,8-11,15-16H,7,12-13H2,1H3,(H,26,27)
InChIKeyRFKHISNNYNHUPX-UHFFFAOYSA-N
XLogP2.57
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(1-methylpyrazol-4-yl)-1-(5-phenylpyrazin-2-yl)piperidine-3-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

1-(1-methylcyclopropanecarbonyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid
CID 138031553
5-(1-methylpyrazol-4-yl)-1-(2-pyrazolo[1,5-a]pyridin-3-ylacetyl)piperidine-3-carboxylic acid
CID 139020267
2-[2-(4-methylpyrazol-1-yl)ethyl]-5-(5-phenylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 166603801
5-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-3-carboxylic acid
CID 146137403
5-(1-methylpyrazol-4-yl)-1-(oxolane-2-carbonyl)piperidine-3-carboxylic acid
CID 146137397
(5-methylpyrazin-2-yl)-[2-(5-phenylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 166604552
2-(5-phenylpyrazin-2-yl)-N-prop-2-enyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 166600557
1-(cyclopent-2-en-1-ylmethylcarbamoyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid
CID 139020191
(3S,4S)-1-benzyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxylic acid
CID 124833087
1-(5-phenylpyrazin-2-yl)ethanone
CID 15500391
[(3S,4R)-4-(1-methylpyrazol-4-yl)-1-quinoxalin-2-ylpyrrolidin-3-yl]methanol
CID 100663483
5-methyl-1-[[2-(1-methylpyrazol-4-yl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123294

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-1-(5-phenylpyrazin-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-1-(5-phenylpyrazin-2-yl)piperidine-3-carboxylic acid (CID 167898509) is 5-(1-methylpyrazol-4-yl)-1-(5-phenylpyrazin-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-1-(5-phenylpyrazin-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-1-(5-phenylpyrazin-2-yl)piperidine-3-carboxylic acid is Cn1cc(C2CC(C(=O)O)CN(c3cnc(-c4ccccc4)cn3)C2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-1-(5-phenylpyrazin-2-yl)piperidine-3-carboxylic acid?
The InChIKey is RFKHISNNYNHUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-24-11-17(8-23-24)15-7-16(20(26)27)13-25(12-15)19-10-21-18(9-22-19)14-5-3-2-4-6-14/h2-6,8-11,15-16H,7,12-13H2,1H3,(H,26,27).
What are the key properties of 5-(1-methylpyrazol-4-yl)-1-(5-phenylpyrazin-2-yl)piperidine-3-carboxylic acid?
5-(1-methylpyrazol-4-yl)-1-(5-phenylpyrazin-2-yl)piperidine-3-carboxylic acid has a molecular weight of 363.42 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-1-(5-phenylpyrazin-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 167898509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).