3-(5-chloro-1-methylpyrazol-4-yl)phenol

C10H9ClN2O — CID 84676422

IUPAC3-(5-chloro-1-methylpyrazol-4-yl)phenol
SMILESCn1ncc(-c2cccc(O)c2)c1Cl
InChIInChI=1S/C10H9ClN2O/c1-13-10(11)9(6-12-13)7-3-2-4-8(14)5-7/h2-6,14H,1H3
InChIKeyWLIJWWXUIDDNJL-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.45
Rot. Bonds1

About 3-(5-chloro-1-methylpyrazol-4-yl)phenol

3-(5-chloro-1-methylpyrazol-4-yl)phenol (PubChem CID 84676422) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 3-(5-chloro-1-methylpyrazol-4-yl)phenol.

Molecular Properties

Compound Name3-(5-chloro-1-methylpyrazol-4-yl)phenol
PubChem CID84676422
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name3-(5-chloro-1-methylpyrazol-4-yl)phenol
SMILESCn1ncc(-c2cccc(O)c2)c1Cl
InChIInChI=1S/C10H9ClN2O/c1-13-10(11)9(6-12-13)7-3-2-4-8(14)5-7/h2-6,14H,1H3
InChIKeyWLIJWWXUIDDNJL-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]phenol
CID 105423248
3-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol
CID 105423466
2-(5-chloro-1-methylpyrazol-4-yl)phenol
CID 84676420
3-(1,3-dimethylpyrazol-4-yl)phenol
CID 130752122
3-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol
CID 117210212
5-(4-chlorophenyl)-4-(3-iodophenyl)-1-methylpyrazole
CID 71604582
3-(3-chlorophenyl)phenol;ethane
CID 142088616
6-(5-chloro-1-methylpyrazol-4-yl)pyridin-2-amine;dihydrochloride
CID 154577022
3-(1-methyl-3-propan-2-ylpyrazol-4-yl)phenol
CID 165460179
4-[3-(difluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117319243
3-(5-chloro-2-ethylphenyl)phenol
CID 142314632
3-(4-chlorophenyl)phenol
CID 3015395

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-methylpyrazol-4-yl)phenol?
The IUPAC name of 3-(5-chloro-1-methylpyrazol-4-yl)phenol (CID 84676422) is 3-(5-chloro-1-methylpyrazol-4-yl)phenol.
What is the SMILES notation for 3-(5-chloro-1-methylpyrazol-4-yl)phenol?
The canonical SMILES for 3-(5-chloro-1-methylpyrazol-4-yl)phenol is Cn1ncc(-c2cccc(O)c2)c1Cl.
What is the InChIKey of 3-(5-chloro-1-methylpyrazol-4-yl)phenol?
The InChIKey is WLIJWWXUIDDNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-13-10(11)9(6-12-13)7-3-2-4-8(14)5-7/h2-6,14H,1H3.
What are the key properties of 3-(5-chloro-1-methylpyrazol-4-yl)phenol?
3-(5-chloro-1-methylpyrazol-4-yl)phenol has a molecular weight of 208.65 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-methylpyrazol-4-yl)phenol is sourced from PubChem (CID 84676422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).