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

C10H13F3N4O — CID 63820984

IUPACN-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2(C(F)(F)F)CCNC2)n[nH]1
InChIInChI=1S/C10H13F3N4O/c1-6-4-7(17-16-6)15-8(18)9(10(11,12)13)2-3-14-5-9/h4,14H,2-3,5H2,1H3,(H2,15,16,17,18)
InChIKeyVRZNDMMHYWWEQL-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.20
Rot. Bonds2

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

N-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63820984) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63820984
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCc1cc(NC(=O)C2(C(F)(F)F)CCNC2)n[nH]1
InChIInChI=1S/C10H13F3N4O/c1-6-4-7(17-16-6)15-8(18)9(10(11,12)13)2-3-14-5-9/h4,14H,2-3,5H2,1H3,(H2,15,16,17,18)
InChIKeyVRZNDMMHYWWEQL-UHFFFAOYSA-N
XLogP1.20
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(5-methyl-1H-pyrazol-3-yl)-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-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63820984) is N-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is Cc1cc(NC(=O)C2(C(F)(F)F)CCNC2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is VRZNDMMHYWWEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-6-4-7(17-16-6)15-8(18)9(10(11,12)13)2-3-14-5-9/h4,14H,2-3,5H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63820984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).