methyl 2-piperidin-4-ylpyrazole-3-carboxylate;hydrochloride

C10H16ClN3O2 — CID 154866227

IUPACmethyl 2-piperidin-4-ylpyrazole-3-carboxylate;hydrochloride
SMILESCOC(=O)c1ccnn1C1CCNCC1.Cl
InChIInChI=1S/C10H15N3O2.ClH/c1-15-10(14)9-4-7-12-13(9)8-2-5-11-6-3-8;/h4,7-8,11H,2-3,5-6H2,1H3;1H
InChIKeyHUIWHCHYVMBHKF-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.02
Rot. Bonds2

About methyl 2-piperidin-4-ylpyrazole-3-carboxylate;hydrochloride

methyl 2-piperidin-4-ylpyrazole-3-carboxylate;hydrochloride (PubChem CID 154866227) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is methyl 2-piperidin-4-ylpyrazole-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-piperidin-4-ylpyrazole-3-carboxylate;hydrochloride
PubChem CID154866227
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Namemethyl 2-piperidin-4-ylpyrazole-3-carboxylate;hydrochloride
SMILESCOC(=O)c1ccnn1C1CCNCC1.Cl
InChIInChI=1S/C10H15N3O2.ClH/c1-15-10(14)9-4-7-12-13(9)8-2-5-11-6-3-8;/h4,7-8,11H,2-3,5-6H2,1H3;1H
InChIKeyHUIWHCHYVMBHKF-UHFFFAOYSA-N
XLogP1.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-piperidin-4-ylpyrazole-3-carboxylate;hydrochloride 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

methyl 1-[(3S)-pyrrolidin-3-yl]triazole-4-carboxylate
CID 97297705
ethyl 2-[4-(3-ethoxy-3-oxopropanoyl)cyclohexyl]pyrazole-3-carboxylate
CID 146344387
ethyl 5-amino-1-piperidin-4-ylpyrazole-4-carboxylate;dihydrochloride
CID 54593650
2-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 71145215
methyl 1-(oxan-4-yl)-5-piperidin-4-yltriazole-4-carboxylate
CID 103124278
4-(5-cyclopentylpyrazol-1-yl)piperidine
CID 84787054
methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119679642
(2-methylpyrazol-3-yl)-pyrrolidin-3-ylmethanone
CID 116568222
methyl 1-(piperidin-4-ylmethyl)triazole-4-carboxylate
CID 115034482
N-[2-(azetidin-3-yl)pyrazol-3-yl]piperidine-4-carboxamide
CID 165484845
N-(azepan-4-yl)-2-methylpyrazole-3-carboxamide
CID 105059420
ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119672434

Frequently Asked Questions

What is the IUPAC name of methyl 2-piperidin-4-ylpyrazole-3-carboxylate;hydrochloride?
The IUPAC name of methyl 2-piperidin-4-ylpyrazole-3-carboxylate;hydrochloride (CID 154866227) is methyl 2-piperidin-4-ylpyrazole-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-piperidin-4-ylpyrazole-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-piperidin-4-ylpyrazole-3-carboxylate;hydrochloride is COC(=O)c1ccnn1C1CCNCC1.Cl.
What is the InChIKey of methyl 2-piperidin-4-ylpyrazole-3-carboxylate;hydrochloride?
The InChIKey is HUIWHCHYVMBHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2.ClH/c1-15-10(14)9-4-7-12-13(9)8-2-5-11-6-3-8;/h4,7-8,11H,2-3,5-6H2,1H3;1H.
What are the key properties of methyl 2-piperidin-4-ylpyrazole-3-carboxylate;hydrochloride?
methyl 2-piperidin-4-ylpyrazole-3-carboxylate;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-piperidin-4-ylpyrazole-3-carboxylate;hydrochloride is sourced from PubChem (CID 154866227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).