3,3,3-trifluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide

C14H19F3N4O2 — CID 121279630

IUPAC3,3,3-trifluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)CC(F)(F)F)C2)n[nH]1
InChIInChI=1S/C14H19F3N4O2/c1-8(2)10-5-11(20-19-10)13(23)21-4-3-9(7-21)18-12(22)6-14(15,16)17/h5,8-9H,3-4,6-7H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyXEGDUTNSWRPPRX-UHFFFAOYSA-N
MW332.33 g/mol
LogP1.82
Rot. Bonds4

About 3,3,3-trifluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide

3,3,3-trifluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide (PubChem CID 121279630) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide
PubChem CID121279630
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Name3,3,3-trifluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)CC(F)(F)F)C2)n[nH]1
InChIInChI=1S/C14H19F3N4O2/c1-8(2)10-5-11(20-19-10)13(23)21-4-3-9(7-21)18-12(22)6-14(15,16)17/h5,8-9H,3-4,6-7H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyXEGDUTNSWRPPRX-UHFFFAOYSA-N
XLogP1.82
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide (CID 121279630) is 3,3,3-trifluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide is CC(C)c1cc(C(=O)N2CCC(NC(=O)CC(F)(F)F)C2)n[nH]1.
What is the InChIKey of 3,3,3-trifluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide?
The InChIKey is XEGDUTNSWRPPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-8(2)10-5-11(20-19-10)13(23)21-4-3-9(7-21)18-12(22)6-14(15,16)17/h5,8-9H,3-4,6-7H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of 3,3,3-trifluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide?
3,3,3-trifluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide has a molecular weight of 332.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 121279630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).