1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpiperidin-4-amine;hydrochloride

C17H25ClN4O — CID 120840739

IUPAC1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpiperidin-4-amine;hydrochloride
SMILESCOc1ccccc1-n1nccc1CN1CCC(N)C(C)C1.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-13-11-20(10-8-15(13)18)12-14-7-9-19-21(14)16-5-3-4-6-17(16)22-2;/h3-7,9,13,15H,8,10-12,18H2,1-2H3;1H
InChIKeyNFZIMKUMRRSCJE-UHFFFAOYSA-N
MW336.87 g/mol
LogP2.47
Rot. Bonds4

About 1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpiperidin-4-amine;hydrochloride

1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpiperidin-4-amine;hydrochloride (PubChem CID 120840739) has the molecular formula C17H25ClN4O and a molecular weight of 336.87 g/mol. Its IUPAC name is 1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpiperidin-4-amine;hydrochloride
PubChem CID120840739
Molecular FormulaC17H25ClN4O
Molecular Weight336.87 g/mol
Exact Mass336.17
IUPAC Name1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpiperidin-4-amine;hydrochloride
SMILESCOc1ccccc1-n1nccc1CN1CCC(N)C(C)C1.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-13-11-20(10-8-15(13)18)12-14-7-9-19-21(14)16-5-3-4-6-17(16)22-2;/h3-7,9,13,15H,8,10-12,18H2,1-2H3;1H
InChIKeyNFZIMKUMRRSCJE-UHFFFAOYSA-N
XLogP2.47
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpiperidin-4-amine;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

1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-amine
CID 120834427
[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837654
1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine
CID 120843343
N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]ethanamine
CID 120842509
[2-(2-methoxyphenyl)pyrazol-3-yl]methanamine
CID 83881539
N-(2-aminoethyl)-1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidine-3-carboxamide
CID 120837260
(4aS,7aS)-6-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 139010341
1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 120842677
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
N-[[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843116
(3R)-1-[[2-(2-methylphenyl)pyrazol-3-yl]methyl]piperidin-3-amine
CID 120845954
1-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidin-4-amine
CID 62993484

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpiperidin-4-amine;hydrochloride (CID 120840739) is 1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpiperidin-4-amine;hydrochloride is COc1ccccc1-n1nccc1CN1CCC(N)C(C)C1.Cl.
What is the InChIKey of 1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpiperidin-4-amine;hydrochloride?
The InChIKey is NFZIMKUMRRSCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.ClH/c1-13-11-20(10-8-15(13)18)12-14-7-9-19-21(14)16-5-3-4-6-17(16)22-2;/h3-7,9,13,15H,8,10-12,18H2,1-2H3;1H.
What are the key properties of 1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpiperidin-4-amine;hydrochloride?
1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpiperidin-4-amine;hydrochloride has a molecular weight of 336.87 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120840739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).