5-ethyl-N-(3-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide;hydrochloride

C12H21ClN4O — CID 120554197

IUPAC5-ethyl-N-(3-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCCc1cc(C(=O)NC2CCNCC2C)n[nH]1.Cl
InChIInChI=1S/C12H20N4O.ClH/c1-3-9-6-11(16-15-9)12(17)14-10-4-5-13-7-8(10)2;/h6,8,10,13H,3-5,7H2,1-2H3,(H,14,17)(H,15,16);1H
InChIKeyRBGAIRFMWRTVRH-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.12
Rot. Bonds3

About 5-ethyl-N-(3-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide;hydrochloride

5-ethyl-N-(3-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 120554197) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is 5-ethyl-N-(3-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-ethyl-N-(3-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID120554197
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC Name5-ethyl-N-(3-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCCc1cc(C(=O)NC2CCNCC2C)n[nH]1.Cl
InChIInChI=1S/C12H20N4O.ClH/c1-3-9-6-11(16-15-9)12(17)14-10-4-5-13-7-8(10)2;/h6,8,10,13H,3-5,7H2,1-2H3,(H,14,17)(H,15,16);1H
InChIKeyRBGAIRFMWRTVRH-UHFFFAOYSA-N
XLogP1.12
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(3-methylpiperidin-4-yl)pyrazine-2-carboxamide;dihydrochloride
CID 120557503
5-ethyl-4-methyl-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120553990
N-(3-methylpiperidin-4-yl)pyrazine-2-carboxamide
CID 120556268
4-iodo-N-(3-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide;hydrochloride
CID 120555713
2-acetamido-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120553729
3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120555486
1-ethyl-2,5-dimethyl-N-(3-methylpiperidin-4-yl)pyrrole-3-carboxamide;hydrochloride
CID 120557423
N-(3-methylpiperidin-4-yl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride
CID 120556285
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
4-iodo-N-(3-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 120555714
5-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)furan-2-carboxamide
CID 120553771
2,4,6-trifluoro-N-[(3S,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516935

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 5-ethyl-N-(3-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide;hydrochloride (CID 120554197) is 5-ethyl-N-(3-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-ethyl-N-(3-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-ethyl-N-(3-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide;hydrochloride is CCc1cc(C(=O)NC2CCNCC2C)n[nH]1.Cl.
What is the InChIKey of 5-ethyl-N-(3-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is RBGAIRFMWRTVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.ClH/c1-3-9-6-11(16-15-9)12(17)14-10-4-5-13-7-8(10)2;/h6,8,10,13H,3-5,7H2,1-2H3,(H,14,17)(H,15,16);1H.
What are the key properties of 5-ethyl-N-(3-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide;hydrochloride?
5-ethyl-N-(3-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120554197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).