(3R)-1-cycloheptyl-5-oxo-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide

C19H24F3N3O2 — CID 99805339

IUPAC(3R)-1-cycloheptyl-5-oxo-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide
SMILESO=C(NNc1cccc(C(F)(F)F)c1)[C@@H]1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C19H24F3N3O2/c20-19(21,22)14-6-5-7-15(11-14)23-24-18(27)13-10-17(26)25(12-13)16-8-3-1-2-4-9-16/h5-7,11,13,16,23H,1-4,8-10,12H2,(H,24,27)/t13-/m1/s1
InChIKeyDDMZIKSVNOOMQE-CYBMUJFWSA-N
MW383.41 g/mol
LogP3.72
Rot. Bonds4

About (3R)-1-cycloheptyl-5-oxo-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide

(3R)-1-cycloheptyl-5-oxo-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide (PubChem CID 99805339) has the molecular formula C19H24F3N3O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is (3R)-1-cycloheptyl-5-oxo-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name(3R)-1-cycloheptyl-5-oxo-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide
PubChem CID99805339
Molecular FormulaC19H24F3N3O2
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC Name(3R)-1-cycloheptyl-5-oxo-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide
SMILESO=C(NNc1cccc(C(F)(F)F)c1)[C@@H]1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C19H24F3N3O2/c20-19(21,22)14-6-5-7-15(11-14)23-24-18(27)13-10-17(26)25(12-13)16-8-3-1-2-4-9-16/h5-7,11,13,16,23H,1-4,8-10,12H2,(H,24,27)/t13-/m1/s1
InChIKeyDDMZIKSVNOOMQE-CYBMUJFWSA-N
XLogP3.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-cycloheptyl-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113185547
1-cyclohexyl-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 110423369
1-(1,1-dioxothiolan-3-yl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113184836
(3R)-5-oxo-1-(2-phenylethyl)-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide
CID 95247840
1-cyclopentyl-N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46568551
(3S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 95332752
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
(3S)-1-cyclopentyl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364552
(3S)-N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 1116191
(3S)-1-(4-chlorobenzoyl)-N'-[3-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide
CID 95247853
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
N-[3-(azepan-1-ylsulfonyl)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 55374582

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cycloheptyl-5-oxo-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide?
The IUPAC name of (3R)-1-cycloheptyl-5-oxo-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide (CID 99805339) is (3R)-1-cycloheptyl-5-oxo-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide.
What is the SMILES notation for (3R)-1-cycloheptyl-5-oxo-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide?
The canonical SMILES for (3R)-1-cycloheptyl-5-oxo-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide is O=C(NNc1cccc(C(F)(F)F)c1)[C@@H]1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of (3R)-1-cycloheptyl-5-oxo-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide?
The InChIKey is DDMZIKSVNOOMQE-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24F3N3O2/c20-19(21,22)14-6-5-7-15(11-14)23-24-18(27)13-10-17(26)25(12-13)16-8-3-1-2-4-9-16/h5-7,11,13,16,23H,1-4,8-10,12H2,(H,24,27)/t13-/m1/s1.
What are the key properties of (3R)-1-cycloheptyl-5-oxo-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide?
(3R)-1-cycloheptyl-5-oxo-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide has a molecular weight of 383.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cycloheptyl-5-oxo-N'-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbohydrazide is sourced from PubChem (CID 99805339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).