[2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-ylpyrazol-3-yl]methanol

C17H17N3O3S — CID 19355404

IUPAC[2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-ylpyrazol-3-yl]methanol
SMILESCn1nc(-c2ccncc2)c(-c2ccc(S(C)(=O)=O)cc2)c1CO
InChIInChI=1S/C17H17N3O3S/c1-20-15(11-21)16(17(19-20)13-7-9-18-10-8-13)12-3-5-14(6-4-12)24(2,22)23/h3-10,21H,11H2,1-2H3
InChIKeyVDGDMAIYFLPGIB-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.04
Rot. Bonds4

About [2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-ylpyrazol-3-yl]methanol

[2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-ylpyrazol-3-yl]methanol (PubChem CID 19355404) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is [2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-ylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-ylpyrazol-3-yl]methanol
PubChem CID19355404
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name[2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-ylpyrazol-3-yl]methanol
SMILESCn1nc(-c2ccncc2)c(-c2ccc(S(C)(=O)=O)cc2)c1CO
InChIInChI=1S/C17H17N3O3S/c1-20-15(11-21)16(17(19-20)13-7-9-18-10-8-13)12-3-5-14(6-4-12)24(2,22)23/h3-10,21H,11H2,1-2H3
InChIKeyVDGDMAIYFLPGIB-UHFFFAOYSA-N
XLogP2.04
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-ylpyrazol-3-yl]methanol?
The IUPAC name of [2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-ylpyrazol-3-yl]methanol (CID 19355404) is [2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-ylpyrazol-3-yl]methanol.
What is the SMILES notation for [2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-ylpyrazol-3-yl]methanol?
The canonical SMILES for [2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-ylpyrazol-3-yl]methanol is Cn1nc(-c2ccncc2)c(-c2ccc(S(C)(=O)=O)cc2)c1CO.
What is the InChIKey of [2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-ylpyrazol-3-yl]methanol?
The InChIKey is VDGDMAIYFLPGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-20-15(11-21)16(17(19-20)13-7-9-18-10-8-13)12-3-5-14(6-4-12)24(2,22)23/h3-10,21H,11H2,1-2H3.
What are the key properties of [2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-ylpyrazol-3-yl]methanol?
[2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-ylpyrazol-3-yl]methanol has a molecular weight of 343.41 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-(4-methylsulfonylphenyl)-5-pyridin-4-ylpyrazol-3-yl]methanol is sourced from PubChem (CID 19355404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).