[4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate

C19H25N3O2 — CID 174616710

IUPAC[4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(c2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C19H25N3O2/c1-19(2,3)18(23)24-22-11-9-15(10-12-22)17-13-16(20-21-17)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,20,21)
InChIKeyUPNVHCDCXYFKNT-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.76
Rot. Bonds3

About [4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate

[4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174616710) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174616710
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(c2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C19H25N3O2/c1-19(2,3)18(23)24-22-11-9-15(10-12-22)17-13-16(20-21-17)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,20,21)
InChIKeyUPNVHCDCXYFKNT-UHFFFAOYSA-N
XLogP3.76
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate 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-(2H-indazol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174731871
4-(5-cyclopropyl-1H-pyrazol-3-yl)benzoic acid
CID 122430192
ethyl 2-[2-oxo-4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]acetate
CID 91506091
[4-(4-chloro-2-pyridinyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174622965
2,3,3-trimethyl-1-[4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 122153584
1-methyl-4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 58097390
(2-methylpyrazol-3-yl)-[(3S)-3-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95107346
[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 71830195
2-(dimethylamino)-1-[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 71819748
4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 71839654
N,N-diethyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 126830172
[4-[3-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174667909

Frequently Asked Questions

What is the IUPAC name of [4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate (CID 174616710) is [4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(c2cc(-c3ccccc3)n[nH]2)CC1.
What is the InChIKey of [4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is UPNVHCDCXYFKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-19(2,3)18(23)24-22-11-9-15(10-12-22)17-13-16(20-21-17)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3,(H,20,21).
What are the key properties of [4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
[4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 327.43 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-phenyl-1H-pyrazol-5-yl)piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174616710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).