3-(3-fluorophenyl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazolidine-4-carboxamide

C17H19F4N5O — CID 134067181

IUPAC3-(3-fluorophenyl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazolidine-4-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)C1CNNC1c1cccc(F)c1
InChIInChI=1S/C17H19F4N5O/c1-10-7-14(17(19,20)21)25-26(10)6-5-22-16(27)13-9-23-24-15(13)11-3-2-4-12(18)8-11/h2-4,7-8,13,15,23-24H,5-6,9H2,1H3,(H,22,27)
InChIKeyQLRAXLLPQVCHIY-UHFFFAOYSA-N
MW385.37 g/mol
LogP1.93
Rot. Bonds5

About 3-(3-fluorophenyl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazolidine-4-carboxamide

3-(3-fluorophenyl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazolidine-4-carboxamide (PubChem CID 134067181) has the molecular formula C17H19F4N5O and a molecular weight of 385.37 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazolidine-4-carboxamide
PubChem CID134067181
Molecular FormulaC17H19F4N5O
Molecular Weight385.37 g/mol
Exact Mass385.15
IUPAC Name3-(3-fluorophenyl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazolidine-4-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)C1CNNC1c1cccc(F)c1
InChIInChI=1S/C17H19F4N5O/c1-10-7-14(17(19,20)21)25-26(10)6-5-22-16(27)13-9-23-24-15(13)11-3-2-4-12(18)8-11/h2-4,7-8,13,15,23-24H,5-6,9H2,1H3,(H,22,27)
InChIKeyQLRAXLLPQVCHIY-UHFFFAOYSA-N
XLogP1.93
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-fluorophenyl)pyrazolidine-4-carboxamide
CID 78083937
(2S)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 91776394
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide
CID 52986556
1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrole-2-carboxamide
CID 91774793
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide
CID 35290168
1-tert-butyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70787550
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-phenylpyrazolidine-4-carboxamide
CID 74648805
3-(4-fluorophenyl)-N-(3-methylbutyl)pyrazolidine-4-carboxamide
CID 75266820
(2S)-2-amino-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylpropanamide
CID 91836285
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-phenylpyrazolidine-4-carbohydrazide
CID 134046006
2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 70734709
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 97125496

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazolidine-4-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazolidine-4-carboxamide (CID 134067181) is 3-(3-fluorophenyl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazolidine-4-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazolidine-4-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazolidine-4-carboxamide is Cc1cc(C(F)(F)F)nn1CCNC(=O)C1CNNC1c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazolidine-4-carboxamide?
The InChIKey is QLRAXLLPQVCHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F4N5O/c1-10-7-14(17(19,20)21)25-26(10)6-5-22-16(27)13-9-23-24-15(13)11-3-2-4-12(18)8-11/h2-4,7-8,13,15,23-24H,5-6,9H2,1H3,(H,22,27).
What are the key properties of 3-(3-fluorophenyl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazolidine-4-carboxamide?
3-(3-fluorophenyl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazolidine-4-carboxamide has a molecular weight of 385.37 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrazolidine-4-carboxamide is sourced from PubChem (CID 134067181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).