N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C10H13F3N4O — CID 63710035

IUPACN-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCn1ccc(NC(=O)C2(C(F)(F)F)CCNC2)n1
InChIInChI=1S/C10H13F3N4O/c1-17-5-2-7(16-17)15-8(18)9(10(11,12)13)3-4-14-6-9/h2,5,14H,3-4,6H2,1H3,(H,15,16,18)
InChIKeyTYAWYNBIZUPICN-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.90
Rot. Bonds2

About N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63710035) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63710035
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC NameN-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCn1ccc(NC(=O)C2(C(F)(F)F)CCNC2)n1
InChIInChI=1S/C10H13F3N4O/c1-17-5-2-7(16-17)15-8(18)9(10(11,12)13)3-4-14-6-9/h2,5,14H,3-4,6H2,1H3,(H,15,16,18)
InChIKeyTYAWYNBIZUPICN-UHFFFAOYSA-N
XLogP0.90
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63710035) is N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is Cn1ccc(NC(=O)C2(C(F)(F)F)CCNC2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is TYAWYNBIZUPICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-17-5-2-7(16-17)15-8(18)9(10(11,12)13)3-4-14-6-9/h2,5,14H,3-4,6H2,1H3,(H,15,16,18).
What are the key properties of N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63710035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).