1-methyl-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride

C15H27ClN4O — CID 119556680

IUPAC1-methyl-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
SMILESCC(C)c1cc(C(=O)NCCC2CCCNC2)nn1C.Cl
InChIInChI=1S/C15H26N4O.ClH/c1-11(2)14-9-13(18-19(14)3)15(20)17-8-6-12-5-4-7-16-10-12;/h9,11-12,16H,4-8,10H2,1-3H3,(H,17,20);1H
InChIKeyHBBSWYJWXDKPSY-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.08
Rot. Bonds5

About 1-methyl-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride

1-methyl-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride (PubChem CID 119556680) has the molecular formula C15H27ClN4O and a molecular weight of 314.86 g/mol. Its IUPAC name is 1-methyl-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-methyl-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
PubChem CID119556680
Molecular FormulaC15H27ClN4O
Molecular Weight314.86 g/mol
Exact Mass314.19
IUPAC Name1-methyl-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
SMILESCC(C)c1cc(C(=O)NCCC2CCCNC2)nn1C.Cl
InChIInChI=1S/C15H26N4O.ClH/c1-11(2)14-9-13(18-19(14)3)15(20)17-8-6-12-5-4-7-16-10-12;/h9,11-12,16H,4-8,10H2,1-3H3,(H,17,20);1H
InChIKeyHBBSWYJWXDKPSY-UHFFFAOYSA-N
XLogP2.08
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 119511635
4-chloro-N-(2-piperidin-3-ylethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 63628711
2-phenyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide;hydrochloride
CID 119558694
N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 63627853
1,3-dimethyl-N-(2-piperidin-3-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 119557464
4-iodo-N-(2-piperidin-3-ylethyl)-1H-pyrrole-2-carboxamide
CID 119557742
2,3-dimethyl-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555477
N-(2-piperidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119558452
2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119559244
2,3,5,6-tetrafluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555428
N-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride
CID 119559628
2,5-dimethyl-1-phenyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride
CID 119554950

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-methyl-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride (CID 119556680) is 1-methyl-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-methyl-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-methyl-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride is CC(C)c1cc(C(=O)NCCC2CCCNC2)nn1C.Cl.
What is the InChIKey of 1-methyl-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride?
The InChIKey is HBBSWYJWXDKPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O.ClH/c1-11(2)14-9-13(18-19(14)3)15(20)17-8-6-12-5-4-7-16-10-12;/h9,11-12,16H,4-8,10H2,1-3H3,(H,17,20);1H.
What are the key properties of 1-methyl-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride?
1-methyl-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119556680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).