3-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide

C18H21FN4O2 — CID 121279662

IUPAC3-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)c3cccc(F)c3)C2)n[nH]1
InChIInChI=1S/C18H21FN4O2/c1-11(2)15-9-16(22-21-15)18(25)23-7-6-14(10-23)20-17(24)12-4-3-5-13(19)8-12/h3-5,8-9,11,14H,6-7,10H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyMIBHIFFGHMLIOZ-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.32
Rot. Bonds4

About 3-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide

3-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide (PubChem CID 121279662) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
PubChem CID121279662
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name3-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)c3cccc(F)c3)C2)n[nH]1
InChIInChI=1S/C18H21FN4O2/c1-11(2)15-9-16(22-21-15)18(25)23-7-6-14(10-23)20-17(24)12-4-3-5-13(19)8-12/h3-5,8-9,11,14H,6-7,10H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyMIBHIFFGHMLIOZ-UHFFFAOYSA-N
XLogP2.32
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide (CID 121279662) is 3-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide is CC(C)c1cc(C(=O)N2CCC(NC(=O)c3cccc(F)c3)C2)n[nH]1.
What is the InChIKey of 3-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
The InChIKey is MIBHIFFGHMLIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-11(2)15-9-16(22-21-15)18(25)23-7-6-14(10-23)20-17(24)12-4-3-5-13(19)8-12/h3-5,8-9,11,14H,6-7,10H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of 3-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
3-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide has a molecular weight of 344.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 121279662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).