1-propan-2-yl-N-[(2R)-4-pyrrolidin-1-ylbutan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C16H25F3N4O — CID 95321875

IUPAC1-propan-2-yl-N-[(2R)-4-pyrrolidin-1-ylbutan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)n1ncc(C(=O)N[C@H](C)CCN2CCCC2)c1C(F)(F)F
InChIInChI=1S/C16H25F3N4O/c1-11(2)23-14(16(17,18)19)13(10-20-23)15(24)21-12(3)6-9-22-7-4-5-8-22/h10-12H,4-9H2,1-3H3,(H,21,24)/t12-/m1/s1
InChIKeyLEJDFDWWCTYGDP-GFCCVEGCSA-N
MW346.40 g/mol
LogP3.09
Rot. Bonds6

About 1-propan-2-yl-N-[(2R)-4-pyrrolidin-1-ylbutan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-propan-2-yl-N-[(2R)-4-pyrrolidin-1-ylbutan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 95321875) has the molecular formula C16H25F3N4O and a molecular weight of 346.40 g/mol. Its IUPAC name is 1-propan-2-yl-N-[(2R)-4-pyrrolidin-1-ylbutan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-[(2R)-4-pyrrolidin-1-ylbutan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID95321875
Molecular FormulaC16H25F3N4O
Molecular Weight346.40 g/mol
Exact Mass346.20
IUPAC Name1-propan-2-yl-N-[(2R)-4-pyrrolidin-1-ylbutan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(C)n1ncc(C(=O)N[C@H](C)CCN2CCCC2)c1C(F)(F)F
InChIInChI=1S/C16H25F3N4O/c1-11(2)23-14(16(17,18)19)13(10-20-23)15(24)21-12(3)6-9-22-7-4-5-8-22/h10-12H,4-9H2,1-3H3,(H,21,24)/t12-/m1/s1
InChIKeyLEJDFDWWCTYGDP-GFCCVEGCSA-N
XLogP3.09
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[(2R)-4-pyrrolidin-1-ylbutan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-propan-2-yl-N-[(2R)-4-pyrrolidin-1-ylbutan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 95321875) is 1-propan-2-yl-N-[(2R)-4-pyrrolidin-1-ylbutan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-[(2R)-4-pyrrolidin-1-ylbutan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-[(2R)-4-pyrrolidin-1-ylbutan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is CC(C)n1ncc(C(=O)N[C@H](C)CCN2CCCC2)c1C(F)(F)F.
What is the InChIKey of 1-propan-2-yl-N-[(2R)-4-pyrrolidin-1-ylbutan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is LEJDFDWWCTYGDP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H25F3N4O/c1-11(2)23-14(16(17,18)19)13(10-20-23)15(24)21-12(3)6-9-22-7-4-5-8-22/h10-12H,4-9H2,1-3H3,(H,21,24)/t12-/m1/s1.
What are the key properties of 1-propan-2-yl-N-[(2R)-4-pyrrolidin-1-ylbutan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-propan-2-yl-N-[(2R)-4-pyrrolidin-1-ylbutan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 346.40 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[(2R)-4-pyrrolidin-1-ylbutan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 95321875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).