5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide

C16H15F3N4O2 — CID 75975436

IUPAC5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)C1CC(c2ccncc2)NN1
InChIInChI=1S/C16H15F3N4O2/c17-16(18,19)25-12-3-1-11(2-4-12)21-15(24)14-9-13(22-23-14)10-5-7-20-8-6-10/h1-8,13-14,22-23H,9H2,(H,21,24)
InChIKeyMSNFWOPZHIFNGK-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.53
Rot. Bonds4

About 5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide

5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide (PubChem CID 75975436) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is 5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide
PubChem CID75975436
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC Name5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)C1CC(c2ccncc2)NN1
InChIInChI=1S/C16H15F3N4O2/c17-16(18,19)25-12-3-1-11(2-4-12)21-15(24)14-9-13(22-23-14)10-5-7-20-8-6-10/h1-8,13-14,22-23H,9H2,(H,21,24)
InChIKeyMSNFWOPZHIFNGK-UHFFFAOYSA-N
XLogP2.53
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-ethoxyphenyl)-N-[3-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide
CID 75234301
N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975433
(1S,2S,3R,4S)-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 118510697
molecular hydrogen;(2S,3R,4S)-3-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 144960996
methyl 4-[[5-(4-methylphenyl)pyrazolidine-3-carbonyl]amino]benzoate
CID 74486868
N-(3-cyanophenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975429
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
N-propan-2-yl-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75973429
N-(3,4-difluorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75254832
N-(5-chloro-2,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975401
N-(3-acetylphenyl)-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234345
ethyl 4-[[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]amino]benzoate
CID 75085762

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide (CID 75975436) is 5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)C1CC(c2ccncc2)NN1.
What is the InChIKey of 5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide?
The InChIKey is MSNFWOPZHIFNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c17-16(18,19)25-12-3-1-11(2-4-12)21-15(24)14-9-13(22-23-14)10-5-7-20-8-6-10/h1-8,13-14,22-23H,9H2,(H,21,24).
What are the key properties of 5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide?
5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide has a molecular weight of 352.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-N-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 75975436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).