3-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide

C20H18F3N5O — CID 121142755

IUPAC3-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCN(c2ccc(C(F)(F)F)cn2)C1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H18F3N5O/c21-20(22,23)14-6-7-18(24-11-14)28-9-8-15(12-28)25-19(29)17-10-16(26-27-17)13-4-2-1-3-5-13/h1-7,10-11,15H,8-9,12H2,(H,25,29)(H,26,27)
InChIKeyGEWHLZMKPLHLTH-UHFFFAOYSA-N
MW401.39 g/mol
LogP3.50
Rot. Bonds4

About 3-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide

3-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 121142755) has the molecular formula C20H18F3N5O and a molecular weight of 401.39 g/mol. Its IUPAC name is 3-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID121142755
Molecular FormulaC20H18F3N5O
Molecular Weight401.39 g/mol
Exact Mass401.15
IUPAC Name3-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCN(c2ccc(C(F)(F)F)cn2)C1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H18F3N5O/c21-20(22,23)14-6-7-18(24-11-14)28-9-8-15(12-28)25-19(29)17-10-16(26-27-17)13-4-2-1-3-5-13/h1-7,10-11,15H,8-9,12H2,(H,25,29)(H,26,27)
InChIKeyGEWHLZMKPLHLTH-UHFFFAOYSA-N
XLogP3.50
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142833
2-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142758
2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142573
4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142844
3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 120549268
1-benzhydryl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]urea
CID 99874849
2,2-dimethyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 124760927
1-(4-fluorophenyl)-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]urea
CID 99874842
5-bromo-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 124892505
2-naphthalen-2-yloxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 121142759
5-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]thiophene-2-carboxamide
CID 121142594
N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethyl)benzamide
CID 99756595

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide (CID 121142755) is 3-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide is O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)C1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is GEWHLZMKPLHLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O/c21-20(22,23)14-6-7-18(24-11-14)28-9-8-15(12-28)25-19(29)17-10-16(26-27-17)13-4-2-1-3-5-13/h1-7,10-11,15H,8-9,12H2,(H,25,29)(H,26,27).
What are the key properties of 3-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
3-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 401.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 121142755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).