[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]methanol

C11H9ClF3N3O — CID 66439207

IUPAC[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]methanol
SMILESCc1c(CO)cnn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H9ClF3N3O/c1-6-7(5-19)3-17-18(6)10-9(12)2-8(4-16-10)11(13,14)15/h2-4,19H,5H2,1H3
InChIKeyVZINSTRBEILAJO-UHFFFAOYSA-N
MW291.66 g/mol
LogP2.74
Rot. Bonds2

About [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]methanol

[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]methanol (PubChem CID 66439207) has the molecular formula C11H9ClF3N3O and a molecular weight of 291.66 g/mol. Its IUPAC name is [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]methanol
PubChem CID66439207
Molecular FormulaC11H9ClF3N3O
Molecular Weight291.66 g/mol
Exact Mass291.04
IUPAC Name[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]methanol
SMILESCc1c(CO)cnn1-c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H9ClF3N3O/c1-6-7(5-19)3-17-18(6)10-9(12)2-8(4-16-10)11(13,14)15/h2-4,19H,5H2,1H3
InChIKeyVZINSTRBEILAJO-UHFFFAOYSA-N
XLogP2.74
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.66
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(bromomethyl)-5-methylpyrazol-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 66438811
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-ethylpyrazole-4-carboxylic acid
CID 43168599
3-chloro-2-(5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 54945268
3-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 61237757
[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 66437235
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carbonitrile
CID 3851582
3-chloro-2-[5-(chloromethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine
CID 107447281
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
CID 14821018
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-cyanopyrazol-5-yl]propanamide
CID 13373127
3-chloro-2-pyrazol-1-yl-5-(trifluoromethyl)pyridine
CID 1478737
3-chloro-2-[5-methylsulfonyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-(trifluoromethyl)pyridine
CID 103596081
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-formylpyrazole-4-carbonitrile
CID 19020335

Frequently Asked Questions

What is the IUPAC name of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]methanol?
The IUPAC name of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]methanol (CID 66439207) is [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]methanol?
The canonical SMILES for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]methanol is Cc1c(CO)cnn1-c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]methanol?
The InChIKey is VZINSTRBEILAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3O/c1-6-7(5-19)3-17-18(6)10-9(12)2-8(4-16-10)11(13,14)15/h2-4,19H,5H2,1H3.
What are the key properties of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]methanol?
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]methanol has a molecular weight of 291.66 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]methanol is sourced from PubChem (CID 66439207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).