(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol

C15H13ClN2OS — CID 3697748

IUPAC(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol
SMILESCn1nc(-c2ccccc2)c(C(O)c2cccs2)c1Cl
InChIInChI=1S/C15H13ClN2OS/c1-18-15(16)12(14(19)11-8-5-9-20-11)13(17-18)10-6-3-2-4-7-10/h2-9,14,19H,1H3
InChIKeyIXENXWCHAVNGCN-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.88
Rot. Bonds3

About (5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol

(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol (PubChem CID 3697748) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is (5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol
PubChem CID3697748
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol
SMILESCn1nc(-c2ccccc2)c(C(O)c2cccs2)c1Cl
InChIInChI=1S/C15H13ClN2OS/c1-18-15(16)12(14(19)11-8-5-9-20-11)13(17-18)10-6-3-2-4-7-10/h2-9,14,19H,1H3
InChIKeyIXENXWCHAVNGCN-UHFFFAOYSA-N
XLogP3.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol?
The IUPAC name of (5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol (CID 3697748) is (5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol.
What is the SMILES notation for (5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol?
The canonical SMILES for (5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol is Cn1nc(-c2ccccc2)c(C(O)c2cccs2)c1Cl.
What is the InChIKey of (5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol?
The InChIKey is IXENXWCHAVNGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c1-18-15(16)12(14(19)11-8-5-9-20-11)13(17-18)10-6-3-2-4-7-10/h2-9,14,19H,1H3.
What are the key properties of (5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol?
(5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol has a molecular weight of 304.80 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-methyl-3-phenylpyrazol-4-yl)-thiophen-2-ylmethanol is sourced from PubChem (CID 3697748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).