2-[1-(2-chlorophenyl)-5-(5-ethylthiophen-2-yl)pyrazol-3-yl]propan-2-ol

C18H19ClN2OS — CID 59632693

IUPAC2-[1-(2-chlorophenyl)-5-(5-ethylthiophen-2-yl)pyrazol-3-yl]propan-2-ol
SMILESCCc1ccc(-c2cc(C(C)(C)O)nn2-c2ccccc2Cl)s1
InChIInChI=1S/C18H19ClN2OS/c1-4-12-9-10-16(23-12)15-11-17(18(2,3)22)20-21(15)14-8-6-5-7-13(14)19/h5-11,22H,4H2,1-3H3
InChIKeySOYMIPXITNKXNN-UHFFFAOYSA-N
MW346.88 g/mol
LogP5.04
Rot. Bonds4

About 2-[1-(2-chlorophenyl)-5-(5-ethylthiophen-2-yl)pyrazol-3-yl]propan-2-ol

2-[1-(2-chlorophenyl)-5-(5-ethylthiophen-2-yl)pyrazol-3-yl]propan-2-ol (PubChem CID 59632693) has the molecular formula C18H19ClN2OS and a molecular weight of 346.88 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-5-(5-ethylthiophen-2-yl)pyrazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-5-(5-ethylthiophen-2-yl)pyrazol-3-yl]propan-2-ol
PubChem CID59632693
Molecular FormulaC18H19ClN2OS
Molecular Weight346.88 g/mol
Exact Mass346.09
IUPAC Name2-[1-(2-chlorophenyl)-5-(5-ethylthiophen-2-yl)pyrazol-3-yl]propan-2-ol
SMILESCCc1ccc(-c2cc(C(C)(C)O)nn2-c2ccccc2Cl)s1
InChIInChI=1S/C18H19ClN2OS/c1-4-12-9-10-16(23-12)15-11-17(18(2,3)22)20-21(15)14-8-6-5-7-13(14)19/h5-11,22H,4H2,1-3H3
InChIKeySOYMIPXITNKXNN-UHFFFAOYSA-N
XLogP5.04
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.88
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-5-(5-ethylthiophen-2-yl)pyrazol-3-yl]propan-2-ol?
The IUPAC name of 2-[1-(2-chlorophenyl)-5-(5-ethylthiophen-2-yl)pyrazol-3-yl]propan-2-ol (CID 59632693) is 2-[1-(2-chlorophenyl)-5-(5-ethylthiophen-2-yl)pyrazol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-5-(5-ethylthiophen-2-yl)pyrazol-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-(2-chlorophenyl)-5-(5-ethylthiophen-2-yl)pyrazol-3-yl]propan-2-ol is CCc1ccc(-c2cc(C(C)(C)O)nn2-c2ccccc2Cl)s1.
What is the InChIKey of 2-[1-(2-chlorophenyl)-5-(5-ethylthiophen-2-yl)pyrazol-3-yl]propan-2-ol?
The InChIKey is SOYMIPXITNKXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2OS/c1-4-12-9-10-16(23-12)15-11-17(18(2,3)22)20-21(15)14-8-6-5-7-13(14)19/h5-11,22H,4H2,1-3H3.
What are the key properties of 2-[1-(2-chlorophenyl)-5-(5-ethylthiophen-2-yl)pyrazol-3-yl]propan-2-ol?
2-[1-(2-chlorophenyl)-5-(5-ethylthiophen-2-yl)pyrazol-3-yl]propan-2-ol has a molecular weight of 346.88 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)-5-(5-ethylthiophen-2-yl)pyrazol-3-yl]propan-2-ol is sourced from PubChem (CID 59632693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).