(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone

C17H19FN4O3S — CID 47023321

IUPAC(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)[nH]n1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H19FN4O3S/c18-13-3-1-2-4-16(13)26(24,25)22-9-7-21(8-10-22)17(23)15-11-14(19-20-15)12-5-6-12/h1-4,11-12H,5-10H2,(H,19,20)
InChIKeyKCSHRTXMJRZMBF-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.57
Rot. Bonds4

About (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone

(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 47023321) has the molecular formula C17H19FN4O3S and a molecular weight of 378.43 g/mol. Its IUPAC name is (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID47023321
Molecular FormulaC17H19FN4O3S
Molecular Weight378.43 g/mol
Exact Mass378.12
IUPAC Name(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)[nH]n1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C17H19FN4O3S/c18-13-3-1-2-4-16(13)26(24,25)22-9-7-21(8-10-22)17(23)15-11-14(19-20-15)12-5-6-12/h1-4,11-12H,5-10H2,(H,19,20)
InChIKeyKCSHRTXMJRZMBF-UHFFFAOYSA-N
XLogP1.57
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone (CID 47023321) is (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone is O=C(c1cc(C2CC2)[nH]n1)N1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is KCSHRTXMJRZMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3S/c18-13-3-1-2-4-16(13)26(24,25)22-9-7-21(8-10-22)17(23)15-11-14(19-20-15)12-5-6-12/h1-4,11-12H,5-10H2,(H,19,20).
What are the key properties of (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone?
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 378.43 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1H-pyrazol-3-yl)-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 47023321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).