3-chloro-4-(4-methylpyrazol-1-yl)phenol

C10H9ClN2O — CID 70819185

IUPAC3-chloro-4-(4-methylpyrazol-1-yl)phenol
SMILESCc1cnn(-c2ccc(O)cc2Cl)c1
InChIInChI=1S/C10H9ClN2O/c1-7-5-12-13(6-7)10-3-2-8(14)4-9(10)11/h2-6,14H,1H3
InChIKeyZMAIOXXBDPMBGY-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.54
Rot. Bonds1

About 3-chloro-4-(4-methylpyrazol-1-yl)phenol

3-chloro-4-(4-methylpyrazol-1-yl)phenol (PubChem CID 70819185) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 3-chloro-4-(4-methylpyrazol-1-yl)phenol.

Molecular Properties

Compound Name3-chloro-4-(4-methylpyrazol-1-yl)phenol
PubChem CID70819185
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name3-chloro-4-(4-methylpyrazol-1-yl)phenol
SMILESCc1cnn(-c2ccc(O)cc2Cl)c1
InChIInChI=1S/C10H9ClN2O/c1-7-5-12-13(6-7)10-3-2-8(14)4-9(10)11/h2-6,14H,1H3
InChIKeyZMAIOXXBDPMBGY-UHFFFAOYSA-N
XLogP2.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-methylpyrazol-1-yl)phenol?
The IUPAC name of 3-chloro-4-(4-methylpyrazol-1-yl)phenol (CID 70819185) is 3-chloro-4-(4-methylpyrazol-1-yl)phenol.
What is the SMILES notation for 3-chloro-4-(4-methylpyrazol-1-yl)phenol?
The canonical SMILES for 3-chloro-4-(4-methylpyrazol-1-yl)phenol is Cc1cnn(-c2ccc(O)cc2Cl)c1.
What is the InChIKey of 3-chloro-4-(4-methylpyrazol-1-yl)phenol?
The InChIKey is ZMAIOXXBDPMBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-7-5-12-13(6-7)10-3-2-8(14)4-9(10)11/h2-6,14H,1H3.
What are the key properties of 3-chloro-4-(4-methylpyrazol-1-yl)phenol?
3-chloro-4-(4-methylpyrazol-1-yl)phenol has a molecular weight of 208.65 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-methylpyrazol-1-yl)phenol is sourced from PubChem (CID 70819185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).