1-(4-chloro-3-methylpyrazol-1-yl)-3-fluoropropan-2-ol

C7H10ClFN2O — CID 130786800

IUPAC1-(4-chloro-3-methylpyrazol-1-yl)-3-fluoropropan-2-ol
SMILESCc1nn(CC(O)CF)cc1Cl
InChIInChI=1S/C7H10ClFN2O/c1-5-7(8)4-11(10-5)3-6(12)2-9/h4,6,12H,2-3H2,1H3
InChIKeyQVZSUOXVCGLEOR-UHFFFAOYSA-N
MW192.62 g/mol
LogP1.18
Rot. Bonds3

About 1-(4-chloro-3-methylpyrazol-1-yl)-3-fluoropropan-2-ol

1-(4-chloro-3-methylpyrazol-1-yl)-3-fluoropropan-2-ol (PubChem CID 130786800) has the molecular formula C7H10ClFN2O and a molecular weight of 192.62 g/mol. Its IUPAC name is 1-(4-chloro-3-methylpyrazol-1-yl)-3-fluoropropan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3-methylpyrazol-1-yl)-3-fluoropropan-2-ol
PubChem CID130786800
Molecular FormulaC7H10ClFN2O
Molecular Weight192.62 g/mol
Exact Mass192.05
IUPAC Name1-(4-chloro-3-methylpyrazol-1-yl)-3-fluoropropan-2-ol
SMILESCc1nn(CC(O)CF)cc1Cl
InChIInChI=1S/C7H10ClFN2O/c1-5-7(8)4-11(10-5)3-6(12)2-9/h4,6,12H,2-3H2,1H3
InChIKeyQVZSUOXVCGLEOR-UHFFFAOYSA-N
XLogP1.18
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.62
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylpyrazol-1-yl)-3-fluoropropan-2-ol?
The IUPAC name of 1-(4-chloro-3-methylpyrazol-1-yl)-3-fluoropropan-2-ol (CID 130786800) is 1-(4-chloro-3-methylpyrazol-1-yl)-3-fluoropropan-2-ol.
What is the SMILES notation for 1-(4-chloro-3-methylpyrazol-1-yl)-3-fluoropropan-2-ol?
The canonical SMILES for 1-(4-chloro-3-methylpyrazol-1-yl)-3-fluoropropan-2-ol is Cc1nn(CC(O)CF)cc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylpyrazol-1-yl)-3-fluoropropan-2-ol?
The InChIKey is QVZSUOXVCGLEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClFN2O/c1-5-7(8)4-11(10-5)3-6(12)2-9/h4,6,12H,2-3H2,1H3.
What are the key properties of 1-(4-chloro-3-methylpyrazol-1-yl)-3-fluoropropan-2-ol?
1-(4-chloro-3-methylpyrazol-1-yl)-3-fluoropropan-2-ol has a molecular weight of 192.62 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylpyrazol-1-yl)-3-fluoropropan-2-ol is sourced from PubChem (CID 130786800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).