(3S,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide

C15H21F3N4O — CID 120963558

IUPAC(3S,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCn1nc(NC(=O)[C@@H]2CN(C)C[C@H]2C(F)(F)F)cc1C1CC1
InChIInChI=1S/C15H21F3N4O/c1-3-22-12(9-4-5-9)6-13(20-22)19-14(23)10-7-21(2)8-11(10)15(16,17)18/h6,9-11H,3-5,7-8H2,1-2H3,(H,19,20,23)/t10-,11-/m1/s1
InChIKeyALVDMICFDYCOOU-GHMZBOCLSA-N
MW330.35 g/mol
LogP2.46
Rot. Bonds4

About (3S,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide

(3S,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 120963558) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is (3S,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID120963558
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC Name(3S,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCn1nc(NC(=O)[C@@H]2CN(C)C[C@H]2C(F)(F)F)cc1C1CC1
InChIInChI=1S/C15H21F3N4O/c1-3-22-12(9-4-5-9)6-13(20-22)19-14(23)10-7-21(2)8-11(10)15(16,17)18/h6,9-11H,3-5,7-8H2,1-2H3,(H,19,20,23)/t10-,11-/m1/s1
InChIKeyALVDMICFDYCOOU-GHMZBOCLSA-N
XLogP2.46
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 120963558) is (3S,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide is CCn1nc(NC(=O)[C@@H]2CN(C)C[C@H]2C(F)(F)F)cc1C1CC1.
What is the InChIKey of (3S,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is ALVDMICFDYCOOU-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H21F3N4O/c1-3-22-12(9-4-5-9)6-13(20-22)19-14(23)10-7-21(2)8-11(10)15(16,17)18/h6,9-11H,3-5,7-8H2,1-2H3,(H,19,20,23)/t10-,11-/m1/s1.
What are the key properties of (3S,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
(3S,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120963558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).