N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride

C16H21ClN4O — CID 120577775

IUPACN-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1cnn(-c2ccccc2)c1.Cl
InChIInChI=1S/C16H20N4O.ClH/c1-12-15(8-5-9-17-12)19-16(21)13-10-18-20(11-13)14-6-3-2-4-7-14;/h2-4,6-7,10-12,15,17H,5,8-9H2,1H3,(H,19,21);1H
InChIKeyUORMUADYCBHJSF-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.16
Rot. Bonds3

About N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride

N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride (PubChem CID 120577775) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
PubChem CID120577775
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC NameN-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1cnn(-c2ccccc2)c1.Cl
InChIInChI=1S/C16H20N4O.ClH/c1-12-15(8-5-9-17-12)19-16(21)13-10-18-20(11-13)14-6-3-2-4-7-14;/h2-4,6-7,10-12,15,17H,5,8-9H2,1H3,(H,19,21);1H
InChIKeyUORMUADYCBHJSF-UHFFFAOYSA-N
XLogP2.16
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 120574286
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
N-(2-bromocyclopentyl)-1-phenylpyrazole-4-carboxamide
CID 80661828
1-phenyl-N-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide
CID 28742838
3-(4-methoxyphenyl)-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide
CID 120577382
1-phenyl-N-(2-pyrrolidin-2-ylethyl)pyrazole-4-carboxamide
CID 114793561
N-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride
CID 120577264
N-(2-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 120577471
1-benzyl-5-methyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide
CID 120577133
3-N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
CID 120576442
6-(N-methylanilino)-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide
CID 120576251
5-fluoro-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide;dihydrochloride
CID 120576822

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride (CID 120577775) is N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride is CC1NCCCC1NC(=O)c1cnn(-c2ccccc2)c1.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is UORMUADYCBHJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O.ClH/c1-12-15(8-5-9-17-12)19-16(21)13-10-18-20(11-13)14-6-3-2-4-7-14;/h2-4,6-7,10-12,15,17H,5,8-9H2,1H3,(H,19,21);1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120577775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).