5-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide

C23H24F3N5O — CID 56658928

IUPAC5-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)n[nH]1
InChIInChI=1S/C23H24F3N5O/c1-15-13-20(30-29-15)22(32)28-19-8-11-31(12-9-19)21(17-3-2-10-27-14-17)16-4-6-18(7-5-16)23(24,25)26/h2-7,10,13-14,19,21H,8-9,11-12H2,1H3,(H,28,32)(H,29,30)
InChIKeyINOCKTCICJAZRE-UHFFFAOYSA-N
MW443.47 g/mol
LogP4.12
Rot. Bonds5

About 5-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide

5-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide (PubChem CID 56658928) has the molecular formula C23H24F3N5O and a molecular weight of 443.47 g/mol. Its IUPAC name is 5-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
PubChem CID56658928
Molecular FormulaC23H24F3N5O
Molecular Weight443.47 g/mol
Exact Mass443.19
IUPAC Name5-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)n[nH]1
InChIInChI=1S/C23H24F3N5O/c1-15-13-20(30-29-15)22(32)28-19-8-11-31(12-9-19)21(17-3-2-10-27-14-17)16-4-6-18(7-5-16)23(24,25)26/h2-7,10,13-14,19,21H,8-9,11-12H2,1H3,(H,28,32)(H,29,30)
InChIKeyINOCKTCICJAZRE-UHFFFAOYSA-N
XLogP4.12
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide (CID 56658928) is 5-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCN(C(c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)n[nH]1.
What is the InChIKey of 5-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is INOCKTCICJAZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O/c1-15-13-20(30-29-15)22(32)28-19-8-11-31(12-9-19)21(17-3-2-10-27-14-17)16-4-6-18(7-5-16)23(24,25)26/h2-7,10,13-14,19,21H,8-9,11-12H2,1H3,(H,28,32)(H,29,30).
What are the key properties of 5-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide?
5-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 443.47 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56658928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).