2,5-dimethyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide

C24H26F3N5O — CID 56672630

IUPAC2,5-dimethyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)n(C)n1
InChIInChI=1S/C24H26F3N5O/c1-16-14-21(31(2)30-16)23(33)29-20-9-12-32(13-10-20)22(18-4-3-11-28-15-18)17-5-7-19(8-6-17)24(25,26)27/h3-8,11,14-15,20,22H,9-10,12-13H2,1-2H3,(H,29,33)
InChIKeyQUFXSPKFTSYJQD-UHFFFAOYSA-N
MW457.50 g/mol
LogP4.13
Rot. Bonds5

About 2,5-dimethyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide

2,5-dimethyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide (PubChem CID 56672630) has the molecular formula C24H26F3N5O and a molecular weight of 457.50 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide
PubChem CID56672630
Molecular FormulaC24H26F3N5O
Molecular Weight457.50 g/mol
Exact Mass457.21
IUPAC Name2,5-dimethyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)n(C)n1
InChIInChI=1S/C24H26F3N5O/c1-16-14-21(31(2)30-16)23(33)29-20-9-12-32(13-10-20)22(18-4-3-11-28-15-18)17-5-7-19(8-6-17)24(25,26)27/h3-8,11,14-15,20,22H,9-10,12-13H2,1-2H3,(H,29,33)
InChIKeyQUFXSPKFTSYJQD-UHFFFAOYSA-N
XLogP4.13
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide (CID 56672630) is 2,5-dimethyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCN(C(c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide?
The InChIKey is QUFXSPKFTSYJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O/c1-16-14-21(31(2)30-16)23(33)29-20-9-12-32(13-10-20)22(18-4-3-11-28-15-18)17-5-7-19(8-6-17)24(25,26)27/h3-8,11,14-15,20,22H,9-10,12-13H2,1-2H3,(H,29,33).
What are the key properties of 2,5-dimethyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide has a molecular weight of 457.50 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 56672630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).