2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethyl]benzoic acid

C19H25N3O2 — CID 136550388

IUPAC2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethyl]benzoic acid
SMILESCCn1cc(C2CCN(CCc3ccccc3C(=O)O)CC2)cn1
InChIInChI=1S/C19H25N3O2/c1-2-22-14-17(13-20-22)15-7-10-21(11-8-15)12-9-16-5-3-4-6-18(16)19(23)24/h3-6,13-15H,2,7-12H2,1H3,(H,23,24)
InChIKeySVGRDQBNXGEBLY-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.02
Rot. Bonds6

About 2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethyl]benzoic acid

2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethyl]benzoic acid (PubChem CID 136550388) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethyl]benzoic acid
PubChem CID136550388
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethyl]benzoic acid
SMILESCCn1cc(C2CCN(CCc3ccccc3C(=O)O)CC2)cn1
InChIInChI=1S/C19H25N3O2/c1-2-22-14-17(13-20-22)15-7-10-21(11-8-15)12-9-16-5-3-4-6-18(16)19(23)24/h3-6,13-15H,2,7-12H2,1H3,(H,23,24)
InChIKeySVGRDQBNXGEBLY-UHFFFAOYSA-N
XLogP3.02
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethyl]benzoic 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-[2-[4-(1-ethylpyrazol-4-yl)piperidine-1-carbonyl]phenyl]sulfanylpropanoic acid
CID 120549869
2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethoxy]ethanol
CID 111439622
2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]benzoic acid
CID 136550077
[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone
CID 122138150
2-(4-aminophenyl)-1-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119873901
2-[[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-4-yl]methyl]benzoic acid
CID 146135814
4-phenyl-1-(2-phenylethyl)piperidine;propanamide
CID 175431355
2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]quinoxaline
CID 86773032
N-[(1-ethylpyrazol-4-yl)methyl]-4-(1-hydroxy-3-phenylpropyl)piperidine-1-carboxamide
CID 121495483
N-[(1-ethylpyrazol-4-yl)methyl]-4-[(1S)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
CID 126424800
[4-(dimethylamino)-3-pyridinyl]-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone
CID 126785476
2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 139001157

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethyl]benzoic acid?
The IUPAC name of 2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethyl]benzoic acid (CID 136550388) is 2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethyl]benzoic acid.
What is the SMILES notation for 2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethyl]benzoic acid?
The canonical SMILES for 2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethyl]benzoic acid is CCn1cc(C2CCN(CCc3ccccc3C(=O)O)CC2)cn1.
What is the InChIKey of 2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethyl]benzoic acid?
The InChIKey is SVGRDQBNXGEBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-22-14-17(13-20-22)15-7-10-21(11-8-15)12-9-16-5-3-4-6-18(16)19(23)24/h3-6,13-15H,2,7-12H2,1H3,(H,23,24).
What are the key properties of 2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethyl]benzoic acid?
2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethyl]benzoic acid has a molecular weight of 327.43 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]ethyl]benzoic acid is sourced from PubChem (CID 136550388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).