N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide

C10H13F3N4O — CID 119796083

IUPACN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cnn(CC(F)(F)F)c1)C1CCNC1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)6-17-5-8(4-15-17)16-9(18)7-1-2-14-3-7/h4-5,7,14H,1-3,6H2,(H,16,18)
InChIKeyKJAXZCLQBJYZCN-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.99
Rot. Bonds3

About N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide

N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide (PubChem CID 119796083) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
PubChem CID119796083
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC NameN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1cnn(CC(F)(F)F)c1)C1CCNC1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)6-17-5-8(4-15-17)16-9(18)7-1-2-14-3-7/h4-5,7,14H,1-3,6H2,(H,16,18)
InChIKeyKJAXZCLQBJYZCN-UHFFFAOYSA-N
XLogP0.99
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide (CID 119796083) is N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide is O=C(Nc1cnn(CC(F)(F)F)c1)C1CCNC1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is KJAXZCLQBJYZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c11-10(12,13)6-17-5-8(4-15-17)16-9(18)7-1-2-14-3-7/h4-5,7,14H,1-3,6H2,(H,16,18).
What are the key properties of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide?
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119796083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).