(1-chloro-5-phenylpyrazol-3-yl)methanol

C10H9ClN2O — CID 174977463

IUPAC(1-chloro-5-phenylpyrazol-3-yl)methanol
SMILESOCc1cc(-c2ccccc2)n(Cl)n1
InChIInChI=1S/C10H9ClN2O/c11-13-10(6-9(7-14)12-13)8-4-2-1-3-5-8/h1-6,14H,7H2
InChIKeyIDPASYDLMGORDO-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.04
Rot. Bonds2

About (1-chloro-5-phenylpyrazol-3-yl)methanol

(1-chloro-5-phenylpyrazol-3-yl)methanol (PubChem CID 174977463) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is (1-chloro-5-phenylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(1-chloro-5-phenylpyrazol-3-yl)methanol
PubChem CID174977463
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name(1-chloro-5-phenylpyrazol-3-yl)methanol
SMILESOCc1cc(-c2ccccc2)n(Cl)n1
InChIInChI=1S/C10H9ClN2O/c11-13-10(6-9(7-14)12-13)8-4-2-1-3-5-8/h1-6,14H,7H2
InChIKeyIDPASYDLMGORDO-UHFFFAOYSA-N
XLogP2.04
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-chloro-5-phenylpyrazol-3-yl)methanol?
The IUPAC name of (1-chloro-5-phenylpyrazol-3-yl)methanol (CID 174977463) is (1-chloro-5-phenylpyrazol-3-yl)methanol.
What is the SMILES notation for (1-chloro-5-phenylpyrazol-3-yl)methanol?
The canonical SMILES for (1-chloro-5-phenylpyrazol-3-yl)methanol is OCc1cc(-c2ccccc2)n(Cl)n1.
What is the InChIKey of (1-chloro-5-phenylpyrazol-3-yl)methanol?
The InChIKey is IDPASYDLMGORDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c11-13-10(6-9(7-14)12-13)8-4-2-1-3-5-8/h1-6,14H,7H2.
What are the key properties of (1-chloro-5-phenylpyrazol-3-yl)methanol?
(1-chloro-5-phenylpyrazol-3-yl)methanol has a molecular weight of 208.65 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-5-phenylpyrazol-3-yl)methanol is sourced from PubChem (CID 174977463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).