[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-phenylmethanol

C22H18FN3O — CID 22037677

IUPAC[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-phenylmethanol
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1C(O)c1ccccc1
InChIInChI=1S/C22H18FN3O/c1-26-21(22(27)17-5-3-2-4-6-17)19(15-11-13-24-14-12-15)20(25-26)16-7-9-18(23)10-8-16/h2-14,22,27H,1H3
InChIKeyMNDMPFHBMSGWDQ-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.37
Rot. Bonds4

About [3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-phenylmethanol

[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-phenylmethanol (PubChem CID 22037677) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-phenylmethanol.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-phenylmethanol
PubChem CID22037677
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-phenylmethanol
SMILESCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1C(O)c1ccccc1
InChIInChI=1S/C22H18FN3O/c1-26-21(22(27)17-5-3-2-4-6-17)19(15-11-13-24-14-12-15)20(25-26)16-7-9-18(23)10-8-16/h2-14,22,27H,1H3
InChIKeyMNDMPFHBMSGWDQ-UHFFFAOYSA-N
XLogP4.37
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-phenylmethanol?
The IUPAC name of [3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-phenylmethanol (CID 22037677) is [3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-phenylmethanol.
What is the SMILES notation for [3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-phenylmethanol?
The canonical SMILES for [3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-phenylmethanol is Cn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1C(O)c1ccccc1.
What is the InChIKey of [3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-phenylmethanol?
The InChIKey is MNDMPFHBMSGWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c1-26-21(22(27)17-5-3-2-4-6-17)19(15-11-13-24-14-12-15)20(25-26)16-7-9-18(23)10-8-16/h2-14,22,27H,1H3.
What are the key properties of [3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-phenylmethanol?
[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-phenylmethanol has a molecular weight of 359.40 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-phenylmethanol is sourced from PubChem (CID 22037677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).