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

C9H11F3N4O — CID 63709325

IUPACN-(1H-pyrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccn[nH]1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)8(2-4-13-5-8)7(17)15-6-1-3-14-16-6/h1,3,13H,2,4-5H2,(H2,14,15,16,17)
InChIKeyVZJDXHYIRWHUEJ-UHFFFAOYSA-N
MW248.21 g/mol
LogP0.89
Rot. Bonds2

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

N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63709325) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63709325
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC NameN-(1H-pyrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccn[nH]1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H11F3N4O/c10-9(11,12)8(2-4-13-5-8)7(17)15-6-1-3-14-16-6/h1,3,13H,2,4-5H2,(H2,14,15,16,17)
InChIKeyVZJDXHYIRWHUEJ-UHFFFAOYSA-N
XLogP0.89
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63709325) is N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(Nc1ccn[nH]1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is VZJDXHYIRWHUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c10-9(11,12)8(2-4-13-5-8)7(17)15-6-1-3-14-16-6/h1,3,13H,2,4-5H2,(H2,14,15,16,17).
What are the key properties of N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 248.21 g/mol, XLogP of 0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63709325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).