N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide

C11H15F3N4O — CID 61260614

IUPACN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)c1cn[nH]c1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)7-18-2-1-8(6-18)3-15-10(19)9-4-16-17-5-9/h4-5,8H,1-3,6-7H2,(H,15,19)(H,16,17)
InChIKeyMTBAGRLWUAOMDH-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.02
Rot. Bonds4

About N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 61260614) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID61260614
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)c1cn[nH]c1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)7-18-2-1-8(6-18)3-15-10(19)9-4-16-17-5-9/h4-5,8H,1-3,6-7H2,(H,15,19)(H,16,17)
InChIKeyMTBAGRLWUAOMDH-UHFFFAOYSA-N
XLogP1.02
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide (CID 61260614) is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide is O=C(NCC1CCN(CC(F)(F)F)C1)c1cn[nH]c1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is MTBAGRLWUAOMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)7-18-2-1-8(6-18)3-15-10(19)9-4-16-17-5-9/h4-5,8H,1-3,6-7H2,(H,15,19)(H,16,17).
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide?
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61260614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).