5-cyclopropyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride

C19H25ClN4O — CID 119463223

IUPAC5-cyclopropyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1cnn(-c2ccccc2)c1C1CC1
InChIInChI=1S/C19H24N4O.ClH/c24-19(21-12-14-5-4-10-20-11-14)17-13-22-23(18(17)15-8-9-15)16-6-2-1-3-7-16;/h1-3,6-7,13-15,20H,4-5,8-12H2,(H,21,24);1H
InChIKeyBYWLIEPWJVGUCX-UHFFFAOYSA-N
MW360.89 g/mol
LogP2.90
Rot. Bonds5

About 5-cyclopropyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride

5-cyclopropyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 119463223) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 5-cyclopropyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-cyclopropyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID119463223
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name5-cyclopropyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1cnn(-c2ccccc2)c1C1CC1
InChIInChI=1S/C19H24N4O.ClH/c24-19(21-12-14-5-4-10-20-11-14)17-13-22-23(18(17)15-8-9-15)16-6-2-1-3-7-16;/h1-3,6-7,13-15,20H,4-5,8-12H2,(H,21,24);1H
InChIKeyBYWLIEPWJVGUCX-UHFFFAOYSA-N
XLogP2.90
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-(piperidin-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119460053
5-ethyl-1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119461346
1-(4-fluorophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119461195
1-(4-bromophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide
CID 119461896
3,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119460021
3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119462686
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
3-phenyl-N-(piperidin-3-ylmethyl)imidazole-4-carboxamide
CID 119464372
2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide
CID 119459788
2-(5-methyl-1-phenyltriazol-4-yl)-N-(piperidin-3-ylmethyl)acetamide
CID 119462671
N-(3-aminobutyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119498276
2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462305

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-cyclopropyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride (CID 119463223) is 5-cyclopropyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-cyclopropyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-cyclopropyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride is Cl.O=C(NCC1CCCNC1)c1cnn(-c2ccccc2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is BYWLIEPWJVGUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O.ClH/c24-19(21-12-14-5-4-10-20-11-14)17-13-22-23(18(17)15-8-9-15)16-6-2-1-3-7-16;/h1-3,6-7,13-15,20H,4-5,8-12H2,(H,21,24);1H.
What are the key properties of 5-cyclopropyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride?
5-cyclopropyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119463223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).