[5-(difluoromethyl)-1-methylpyrazol-3-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone

C14H16F2N4OS — CID 136564936

IUPAC[5-(difluoromethyl)-1-methylpyrazol-3-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1nc(C2CCCN2C(=O)c2cc(C(F)F)n(C)n2)cs1
InChIInChI=1S/C14H16F2N4OS/c1-8-17-10(7-22-8)11-4-3-5-20(11)14(21)9-6-12(13(15)16)19(2)18-9/h6-7,11,13H,3-5H2,1-2H3
InChIKeyACWARQBPFBNIGG-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.10
Rot. Bonds3

About [5-(difluoromethyl)-1-methylpyrazol-3-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone

[5-(difluoromethyl)-1-methylpyrazol-3-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 136564936) has the molecular formula C14H16F2N4OS and a molecular weight of 326.37 g/mol. Its IUPAC name is [5-(difluoromethyl)-1-methylpyrazol-3-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(difluoromethyl)-1-methylpyrazol-3-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID136564936
Molecular FormulaC14H16F2N4OS
Molecular Weight326.37 g/mol
Exact Mass326.10
IUPAC Name[5-(difluoromethyl)-1-methylpyrazol-3-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1nc(C2CCCN2C(=O)c2cc(C(F)F)n(C)n2)cs1
InChIInChI=1S/C14H16F2N4OS/c1-8-17-10(7-22-8)11-4-3-5-20(11)14(21)9-6-12(13(15)16)19(2)18-9/h6-7,11,13H,3-5H2,1-2H3
InChIKeyACWARQBPFBNIGG-UHFFFAOYSA-N
XLogP3.10
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-1-methylpyrazol-3-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(difluoromethyl)-1-methylpyrazol-3-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone (CID 136564936) is [5-(difluoromethyl)-1-methylpyrazol-3-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(difluoromethyl)-1-methylpyrazol-3-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(difluoromethyl)-1-methylpyrazol-3-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone is Cc1nc(C2CCCN2C(=O)c2cc(C(F)F)n(C)n2)cs1.
What is the InChIKey of [5-(difluoromethyl)-1-methylpyrazol-3-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is ACWARQBPFBNIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4OS/c1-8-17-10(7-22-8)11-4-3-5-20(11)14(21)9-6-12(13(15)16)19(2)18-9/h6-7,11,13H,3-5H2,1-2H3.
What are the key properties of [5-(difluoromethyl)-1-methylpyrazol-3-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone?
[5-(difluoromethyl)-1-methylpyrazol-3-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 326.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-1-methylpyrazol-3-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 136564936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).