3-(4-fluorophenyl)-N-(3-methylbutyl)pyrazolidine-4-carboxamide

C15H22FN3O — CID 75266820

IUPAC3-(4-fluorophenyl)-N-(3-methylbutyl)pyrazolidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CNNC1c1ccc(F)cc1
InChIInChI=1S/C15H22FN3O/c1-10(2)7-8-17-15(20)13-9-18-19-14(13)11-3-5-12(16)6-4-11/h3-6,10,13-14,18-19H,7-9H2,1-2H3,(H,17,20)
InChIKeyYOYNKUNUEMXWQP-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.75
Rot. Bonds5

About 3-(4-fluorophenyl)-N-(3-methylbutyl)pyrazolidine-4-carboxamide

3-(4-fluorophenyl)-N-(3-methylbutyl)pyrazolidine-4-carboxamide (PubChem CID 75266820) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(3-methylbutyl)pyrazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(3-methylbutyl)pyrazolidine-4-carboxamide
PubChem CID75266820
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name3-(4-fluorophenyl)-N-(3-methylbutyl)pyrazolidine-4-carboxamide
SMILESCC(C)CCNC(=O)C1CNNC1c1ccc(F)cc1
InChIInChI=1S/C15H22FN3O/c1-10(2)7-8-17-15(20)13-9-18-19-14(13)11-3-5-12(16)6-4-11/h3-6,10,13-14,18-19H,7-9H2,1-2H3,(H,17,20)
InChIKeyYOYNKUNUEMXWQP-UHFFFAOYSA-N
XLogP1.75
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]pyrazolidine-4-carboxamide
CID 73277683
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide
CID 52986556
3-(4-fluorophenyl)-N-[3-oxo-3-(pyridin-2-ylamino)propyl]pyrazolidine-4-carboxamide
CID 52989681
3-(4-fluorophenyl)-N-phenylmethoxypyrazolidine-4-carboxamide
CID 74760091
(3S,4S)-1-(3,3-dimethylbutanoyl)-4-(4-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 97479139
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide
CID 52986667
(3R,4S)-1-N-tert-butyl-4-(4-fluorophenyl)-3-N-(3-methylbutyl)pyrrolidine-1,3-dicarboxamide
CID 97479156
3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]pyrazolidine-4-carboxamide
CID 75158766
3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pyrazolidine-4-carboxamide
CID 134056955
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109149096
N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)pyrazolidine-4-carboxamide
CID 75209970
(3S,4R)-1-(2-chlorobenzoyl)-4-(4-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 93151535

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(3-methylbutyl)pyrazolidine-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(3-methylbutyl)pyrazolidine-4-carboxamide (CID 75266820) is 3-(4-fluorophenyl)-N-(3-methylbutyl)pyrazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(3-methylbutyl)pyrazolidine-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(3-methylbutyl)pyrazolidine-4-carboxamide is CC(C)CCNC(=O)C1CNNC1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(3-methylbutyl)pyrazolidine-4-carboxamide?
The InChIKey is YOYNKUNUEMXWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-10(2)7-8-17-15(20)13-9-18-19-14(13)11-3-5-12(16)6-4-11/h3-6,10,13-14,18-19H,7-9H2,1-2H3,(H,17,20).
What are the key properties of 3-(4-fluorophenyl)-N-(3-methylbutyl)pyrazolidine-4-carboxamide?
3-(4-fluorophenyl)-N-(3-methylbutyl)pyrazolidine-4-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(3-methylbutyl)pyrazolidine-4-carboxamide is sourced from PubChem (CID 75266820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).