N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C10H13F3N4O — CID 63710769

IUPACN-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccn[nH]1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)9(2-4-14-6-9)8(18)15-5-7-1-3-16-17-7/h1,3,14H,2,4-6H2,(H,15,18)(H,16,17)
InChIKeyAAOFYEWJAGSASV-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.57
Rot. Bonds3

About N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63710769) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63710769
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC NameN-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccn[nH]1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H13F3N4O/c11-10(12,13)9(2-4-14-6-9)8(18)15-5-7-1-3-16-17-7/h1,3,14H,2,4-6H2,(H,15,18)(H,16,17)
InChIKeyAAOFYEWJAGSASV-UHFFFAOYSA-N
XLogP0.57
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63710769) is N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NCc1ccn[nH]1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is AAOFYEWJAGSASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c11-10(12,13)9(2-4-14-6-9)8(18)15-5-7-1-3-16-17-7/h1,3,14H,2,4-6H2,(H,15,18)(H,16,17).
What are the key properties of N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63710769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).