N-[(3S,4R)-4-cyclopropyl-1-[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide

C15H19F3N4O2 — CID 133125704

IUPACN-[(3S,4R)-4-cyclopropyl-1-[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)c2cc(C(F)(F)F)nn2C)C[C@H]1C1CC1
InChIInChI=1S/C15H19F3N4O2/c1-8(23)19-11-7-22(6-10(11)9-3-4-9)14(24)12-5-13(15(16,17)18)20-21(12)2/h5,9-11H,3-4,6-7H2,1-2H3,(H,19,23)/t10-,11+/m0/s1
InChIKeyDUBFEZKNQNYISE-WDEREUQCSA-N
MW344.34 g/mol
LogP1.43
Rot. Bonds3

About N-[(3S,4R)-4-cyclopropyl-1-[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide

N-[(3S,4R)-4-cyclopropyl-1-[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide (PubChem CID 133125704) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is N-[(3S,4R)-4-cyclopropyl-1-[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-cyclopropyl-1-[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide
PubChem CID133125704
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC NameN-[(3S,4R)-4-cyclopropyl-1-[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)c2cc(C(F)(F)F)nn2C)C[C@H]1C1CC1
InChIInChI=1S/C15H19F3N4O2/c1-8(23)19-11-7-22(6-10(11)9-3-4-9)14(24)12-5-13(15(16,17)18)20-21(12)2/h5,9-11H,3-4,6-7H2,1-2H3,(H,19,23)/t10-,11+/m0/s1
InChIKeyDUBFEZKNQNYISE-WDEREUQCSA-N
XLogP1.43
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide (CID 133125704) is N-[(3S,4R)-4-cyclopropyl-1-[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-4-cyclopropyl-1-[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-4-cyclopropyl-1-[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(C(=O)c2cc(C(F)(F)F)nn2C)C[C@H]1C1CC1.
What is the InChIKey of N-[(3S,4R)-4-cyclopropyl-1-[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide?
The InChIKey is DUBFEZKNQNYISE-WDEREUQCSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c1-8(23)19-11-7-22(6-10(11)9-3-4-9)14(24)12-5-13(15(16,17)18)20-21(12)2/h5,9-11H,3-4,6-7H2,1-2H3,(H,19,23)/t10-,11+/m0/s1.
What are the key properties of N-[(3S,4R)-4-cyclopropyl-1-[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide?
N-[(3S,4R)-4-cyclopropyl-1-[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide has a molecular weight of 344.34 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-cyclopropyl-1-[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 133125704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).