1-(3,4-dichlorophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide;hydrochloride

C15H17Cl3N4O — CID 119387434

IUPAC1-(3,4-dichlorophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H16Cl2N4O.ClH/c16-12-2-1-11(9-13(12)17)21-8-5-14(20-21)15(22)19-10-3-6-18-7-4-10;/h1-2,5,8-10,18H,3-4,6-7H2,(H,19,22);1H
InChIKeySKNPEPSJZHSLJS-UHFFFAOYSA-N
MW375.69 g/mol
LogP3.08
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide;hydrochloride

1-(3,4-dichlorophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide;hydrochloride (PubChem CID 119387434) has the molecular formula C15H17Cl3N4O and a molecular weight of 375.69 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide;hydrochloride
PubChem CID119387434
Molecular FormulaC15H17Cl3N4O
Molecular Weight375.69 g/mol
Exact Mass374.05
IUPAC Name1-(3,4-dichlorophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNCC1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C15H16Cl2N4O.ClH/c16-12-2-1-11(9-13(12)17)21-8-5-14(20-21)15(22)19-10-3-6-18-7-4-10;/h1-2,5,8-10,18H,3-4,6-7H2,(H,19,22);1H
InChIKeySKNPEPSJZHSLJS-UHFFFAOYSA-N
XLogP3.08
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.69
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide;hydrochloride (CID 119387434) is 1-(3,4-dichlorophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide;hydrochloride is Cl.O=C(NC1CCNCC1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide;hydrochloride?
The InChIKey is SKNPEPSJZHSLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O.ClH/c16-12-2-1-11(9-13(12)17)21-8-5-14(20-21)15(22)19-10-3-6-18-7-4-10;/h1-2,5,8-10,18H,3-4,6-7H2,(H,19,22);1H.
What are the key properties of 1-(3,4-dichlorophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide;hydrochloride?
1-(3,4-dichlorophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide;hydrochloride has a molecular weight of 375.69 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119387434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).