N-piperidin-4-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride

C18H23ClF3N5O — CID 119388462

IUPACN-piperidin-4-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride
SMILESCC(C)c1c(C(=O)NC2CCNCC2)cnn1-c1ccc(C(F)(F)F)cn1.Cl
InChIInChI=1S/C18H22F3N5O.ClH/c1-11(2)16-14(17(27)25-13-5-7-22-8-6-13)10-24-26(16)15-4-3-12(9-23-15)18(19,20)21;/h3-4,9-11,13,22H,5-8H2,1-2H3,(H,25,27);1H
InChIKeyCPQOUMUJMXZTQM-UHFFFAOYSA-N
MW417.86 g/mol
LogP3.31
Rot. Bonds4

About N-piperidin-4-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride

N-piperidin-4-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride (PubChem CID 119388462) has the molecular formula C18H23ClF3N5O and a molecular weight of 417.86 g/mol. Its IUPAC name is N-piperidin-4-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-4-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride
PubChem CID119388462
Molecular FormulaC18H23ClF3N5O
Molecular Weight417.86 g/mol
Exact Mass417.15
IUPAC NameN-piperidin-4-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride
SMILESCC(C)c1c(C(=O)NC2CCNCC2)cnn1-c1ccc(C(F)(F)F)cn1.Cl
InChIInChI=1S/C18H22F3N5O.ClH/c1-11(2)16-14(17(27)25-13-5-7-22-8-6-13)10-24-26(16)15-4-3-12(9-23-15)18(19,20)21;/h3-4,9-11,13,22H,5-8H2,1-2H3,(H,25,27);1H
InChIKeyCPQOUMUJMXZTQM-UHFFFAOYSA-N
XLogP3.31
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.86
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-piperidin-4-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(4-aminocyclohexyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 119477098
5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 119512636
N-methyl-5-propan-2-yl-N-pyrrolidin-3-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 119552693
N-(2-methylpropyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39041621
(2R)-2-[[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 119369745
N-[(1S)-2-amino-1-cyclopropylethyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 124683176
5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55708564
N-butyl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 46429671
N-(4-methylphenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 46430085
N-butan-2-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 46605564
N-(3-aminobutyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 119497605
N-[2-(methylamino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride
CID 120831966

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-piperidin-4-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride (CID 119388462) is N-piperidin-4-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-piperidin-4-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-piperidin-4-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride is CC(C)c1c(C(=O)NC2CCNCC2)cnn1-c1ccc(C(F)(F)F)cn1.Cl.
What is the InChIKey of N-piperidin-4-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride?
The InChIKey is CPQOUMUJMXZTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O.ClH/c1-11(2)16-14(17(27)25-13-5-7-22-8-6-13)10-24-26(16)15-4-3-12(9-23-15)18(19,20)21;/h3-4,9-11,13,22H,5-8H2,1-2H3,(H,25,27);1H.
What are the key properties of N-piperidin-4-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride?
N-piperidin-4-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride has a molecular weight of 417.86 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119388462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).