N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide

C17H16F3N3O2 — CID 75209970

IUPACN-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)C1CNNC1c1ccc(F)cc1
InChIInChI=1S/C17H16F3N3O2/c18-11-3-1-10(2-4-11)15-14(9-21-23-15)16(24)22-12-5-7-13(8-6-12)25-17(19)20/h1-8,14-15,17,21,23H,9H2,(H,22,24)
InChIKeyXODGPBRVEOKDJC-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.83
Rot. Bonds5

About N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide

N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide (PubChem CID 75209970) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide
PubChem CID75209970
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC NameN-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)C1CNNC1c1ccc(F)cc1
InChIInChI=1S/C17H16F3N3O2/c18-11-3-1-10(2-4-11)15-14(9-21-23-15)16(24)22-12-5-7-13(8-6-12)25-17(19)20/h1-8,14-15,17,21,23H,9H2,(H,22,24)
InChIKeyXODGPBRVEOKDJC-UHFFFAOYSA-N
XLogP2.83
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)pyrazolidine-4-carboxamide
CID 75656770
3-(4-chlorophenyl)-N-(4-methylphenyl)pyrazolidine-4-carboxamide
CID 73277699
3-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]pyrazolidine-4-carboxamide
CID 73277683
3-(4-fluorophenyl)-N-(3-methylbutyl)pyrazolidine-4-carboxamide
CID 75266820
N-[4-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 34033203
N-[4-(difluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 47124860
(3R)-N-[4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 81123871
N-[4-(difluoromethoxy)phenyl]-5-methylpiperazine-2-carboxamide
CID 63102210
3-(4-fluorophenyl)-N-phenylmethoxypyrazolidine-4-carboxamide
CID 74760091
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
(4S)-4-[4-(difluoromethoxy)phenyl]-N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7815899
3-(4-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyrazolidine-4-carboxamide
CID 75625270

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide (CID 75209970) is N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide is O=C(Nc1ccc(OC(F)F)cc1)C1CNNC1c1ccc(F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide?
The InChIKey is XODGPBRVEOKDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c18-11-3-1-10(2-4-11)15-14(9-21-23-15)16(24)22-12-5-7-13(8-6-12)25-17(19)20/h1-8,14-15,17,21,23H,9H2,(H,22,24).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide?
N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide has a molecular weight of 351.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide is sourced from PubChem (CID 75209970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).