3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide

C19H19FN4OS — CID 91888165

IUPAC3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
SMILESCc1ccc(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)C2)cc1F
InChIInChI=1S/C19H19FN4OS/c1-12-4-5-13(9-15(12)20)19(25)21-14-6-7-24(11-14)18-10-16(22-23-18)17-3-2-8-26-17/h2-5,8-10,14H,6-7,11H2,1H3,(H,21,25)(H,22,23)
InChIKeyAMIWGVGMEVCKHQ-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.59
Rot. Bonds4

About 3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide

3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide (PubChem CID 91888165) has the molecular formula C19H19FN4OS and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
PubChem CID91888165
Molecular FormulaC19H19FN4OS
Molecular Weight370.45 g/mol
Exact Mass370.13
IUPAC Name3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
SMILESCc1ccc(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)C2)cc1F
InChIInChI=1S/C19H19FN4OS/c1-12-4-5-13(9-15(12)20)19(25)21-14-6-7-24(11-14)18-10-16(22-23-18)17-3-2-8-26-17/h2-5,8-10,14H,6-7,11H2,1H3,(H,21,25)(H,22,23)
InChIKeyAMIWGVGMEVCKHQ-UHFFFAOYSA-N
XLogP3.59
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide (CID 91888165) is 3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide is Cc1ccc(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)C2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide?
The InChIKey is AMIWGVGMEVCKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS/c1-12-4-5-13(9-15(12)20)19(25)21-14-6-7-24(11-14)18-10-16(22-23-18)17-3-2-8-26-17/h2-5,8-10,14H,6-7,11H2,1H3,(H,21,25)(H,22,23).
What are the key properties of 3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide?
3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide has a molecular weight of 370.45 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 91888165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).