N-[(3R)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide

C15H15F3N4O2 — CID 96547281

IUPACN-[(3R)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccn[nH]1
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)24-12-3-1-2-11(8-12)22-7-5-10(9-22)20-14(23)13-4-6-19-21-13/h1-4,6,8,10H,5,7,9H2,(H,19,21)(H,20,23)/t10-/m1/s1
InChIKeySRTURQGBGSQWHF-SNVBAGLBSA-N
MW340.31 g/mol
LogP2.32
Rot. Bonds4

About N-[(3R)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide

N-[(3R)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 96547281) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is N-[(3R)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID96547281
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC NameN-[(3R)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccn[nH]1
InChIInChI=1S/C15H15F3N4O2/c16-15(17,18)24-12-3-1-2-11(8-12)22-7-5-10(9-22)20-14(23)13-4-6-19-21-13/h1-4,6,8,10H,5,7,9H2,(H,19,21)(H,20,23)/t10-/m1/s1
InChIKeySRTURQGBGSQWHF-SNVBAGLBSA-N
XLogP2.32
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 139001144
1-(2-fluoroethyl)-3-[(3S)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]urea
CID 125140707
N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]piperidine-3-carboxamide
CID 119886059
N-[(3R)-1-[4-(difluoromethoxy)phenyl]piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 96568176
1-[2-(dimethylamino)-2-oxoethyl]-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]triazole-4-carboxamide
CID 139001146
3-(2-aminophenyl)-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]propanamide
CID 120613181
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-3-(trifluoromethoxy)benzamide
CID 91887797
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(trifluoromethoxy)benzamide
CID 136666555
1-[3-(trifluoromethoxy)phenyl]piperidin-3-ol
CID 58973484
N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 129476538
N-(1-cyanopyrrolidin-3-yl)-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 168909159
(3S)-N-[(2R)-1-(1,2,4-triazol-1-yl)butan-2-yl]-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
CID 100620116

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(3R)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide (CID 96547281) is N-[(3R)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3R)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(3R)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide is O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1ccn[nH]1.
What is the InChIKey of N-[(3R)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is SRTURQGBGSQWHF-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c16-15(17,18)24-12-3-1-2-11(8-12)22-7-5-10(9-22)20-14(23)13-4-6-19-21-13/h1-4,6,8,10H,5,7,9H2,(H,19,21)(H,20,23)/t10-/m1/s1.
What are the key properties of N-[(3R)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
N-[(3R)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 96547281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).