3,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide

C13H19F3N4O — CID 61260777

IUPAC3,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C13H19F3N4O/c1-8-11(9(2)19-18-8)12(21)17-5-10-3-4-20(6-10)7-13(14,15)16/h10H,3-7H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyPKNGDQLMXWPVDH-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.64
Rot. Bonds4

About 3,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide

3,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 61260777) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID61260777
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name3,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C13H19F3N4O/c1-8-11(9(2)19-18-8)12(21)17-5-10-3-4-20(6-10)7-13(14,15)16/h10H,3-7H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyPKNGDQLMXWPVDH-UHFFFAOYSA-N
XLogP1.64
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide (CID 61260777) is 3,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 3,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is PKNGDQLMXWPVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-8-11(9(2)19-18-8)12(21)17-5-10-3-4-20(6-10)7-13(14,15)16/h10H,3-7H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of 3,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61260777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).