3-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride

C17H22ClN5O2 — CID 120576442

IUPAC3-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1.Cl
InChIInChI=1S/C17H21N5O2.ClH/c1-11-13(8-5-9-19-11)20-17(24)14-10-15(16(18)23)22(21-14)12-6-3-2-4-7-12;/h2-4,6-7,10-11,13,19H,5,8-9H2,1H3,(H2,18,23)(H,20,24);1H
InChIKeyJSZGJZMOFJDISC-UHFFFAOYSA-N
MW363.85 g/mol
LogP1.26
Rot. Bonds4

About 3-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride

3-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride (PubChem CID 120576442) has the molecular formula C17H22ClN5O2 and a molecular weight of 363.85 g/mol. Its IUPAC name is 3-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name3-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
PubChem CID120576442
Molecular FormulaC17H22ClN5O2
Molecular Weight363.85 g/mol
Exact Mass363.15
IUPAC Name3-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1.Cl
InChIInChI=1S/C17H21N5O2.ClH/c1-11-13(8-5-9-19-11)20-17(24)14-10-15(16(18)23)22(21-14)12-6-3-2-4-7-12;/h2-4,6-7,10-11,13,19H,5,8-9H2,1H3,(H2,18,23)(H,20,24);1H
InChIKeyJSZGJZMOFJDISC-UHFFFAOYSA-N
XLogP1.26
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-yl)-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-5-carboxamide
CID 120577727
1-phenyl-3-N-(4-phenylcyclohexyl)pyrazole-3,5-dicarboxamide
CID 119128221
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120577775
1-tert-butyl-5-cyclopropyl-N-(2-methylpiperidin-3-yl)pyrazole-3-carboxamide;hydrochloride
CID 120577098
N-(2-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride
CID 120573393
N-(2,3-dimethylcyclohexyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55762098
2-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride
CID 120576916
2-(2-amino-2-oxoethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120577789
3-N-(2-amino-2-methylpropyl)-1-phenylpyrazole-3,5-dicarboxamide
CID 119628077
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
4-(furan-2-yl)-2-N-(2-methylpiperidin-3-yl)imidazo[1,5-a]pyrimidine-2,8-dicarboxamide
CID 167951948

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride?
The IUPAC name of 3-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride (CID 120576442) is 3-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride.
What is the SMILES notation for 3-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride?
The canonical SMILES for 3-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride is CC1NCCCC1NC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1.Cl.
What is the InChIKey of 3-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride?
The InChIKey is JSZGJZMOFJDISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2.ClH/c1-11-13(8-5-9-19-11)20-17(24)14-10-15(16(18)23)22(21-14)12-6-3-2-4-7-12;/h2-4,6-7,10-11,13,19H,5,8-9H2,1H3,(H2,18,23)(H,20,24);1H.
What are the key properties of 3-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride?
3-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride has a molecular weight of 363.85 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride is sourced from PubChem (CID 120576442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).