1-phenyl-N-[(2R)-1-piperidin-1-ylpropan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C19H23F3N4O — CID 129402287

IUPAC1-phenyl-N-[(2R)-1-piperidin-1-ylpropan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESC[C@H](CN1CCCCC1)NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C19H23F3N4O/c1-14(13-25-10-6-3-7-11-25)24-18(27)16-12-23-26(17(16)19(20,21)22)15-8-4-2-5-9-15/h2,4-5,8-9,12,14H,3,6-7,10-11,13H2,1H3,(H,24,27)/t14-/m1/s1
InChIKeyWUWSLDNGOXLGBM-CQSZACIVSA-N
MW380.41 g/mol
LogP3.50
Rot. Bonds5

About 1-phenyl-N-[(2R)-1-piperidin-1-ylpropan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-phenyl-N-[(2R)-1-piperidin-1-ylpropan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 129402287) has the molecular formula C19H23F3N4O and a molecular weight of 380.41 g/mol. Its IUPAC name is 1-phenyl-N-[(2R)-1-piperidin-1-ylpropan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[(2R)-1-piperidin-1-ylpropan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID129402287
Molecular FormulaC19H23F3N4O
Molecular Weight380.41 g/mol
Exact Mass380.18
IUPAC Name1-phenyl-N-[(2R)-1-piperidin-1-ylpropan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESC[C@H](CN1CCCCC1)NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C19H23F3N4O/c1-14(13-25-10-6-3-7-11-25)24-18(27)16-12-23-26(17(16)19(20,21)22)15-8-4-2-5-9-15/h2,4-5,8-9,12,14H,3,6-7,10-11,13H2,1H3,(H,24,27)/t14-/m1/s1
InChIKeyWUWSLDNGOXLGBM-CQSZACIVSA-N
XLogP3.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(2R)-1-piperidin-1-ylpropan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-[(2R)-1-piperidin-1-ylpropan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 129402287) is 1-phenyl-N-[(2R)-1-piperidin-1-ylpropan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-[(2R)-1-piperidin-1-ylpropan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-[(2R)-1-piperidin-1-ylpropan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is C[C@H](CN1CCCCC1)NC(=O)c1cnn(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of 1-phenyl-N-[(2R)-1-piperidin-1-ylpropan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is WUWSLDNGOXLGBM-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23F3N4O/c1-14(13-25-10-6-3-7-11-25)24-18(27)16-12-23-26(17(16)19(20,21)22)15-8-4-2-5-9-15/h2,4-5,8-9,12,14H,3,6-7,10-11,13H2,1H3,(H,24,27)/t14-/m1/s1.
What are the key properties of 1-phenyl-N-[(2R)-1-piperidin-1-ylpropan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-phenyl-N-[(2R)-1-piperidin-1-ylpropan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(2R)-1-piperidin-1-ylpropan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 129402287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).