(4-chlorophenyl)-(1-methylpyrazol-4-yl)methanol

C11H11ClN2O — CID 61088026

IUPAC(4-chlorophenyl)-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C11H11ClN2O/c1-14-7-9(6-13-14)11(15)8-2-4-10(12)5-3-8/h2-7,11,15H,1H3
InChIKeyQJCINTCKJDBLKD-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.16
Rot. Bonds2

About (4-chlorophenyl)-(1-methylpyrazol-4-yl)methanol

(4-chlorophenyl)-(1-methylpyrazol-4-yl)methanol (PubChem CID 61088026) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is (4-chlorophenyl)-(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(1-methylpyrazol-4-yl)methanol
PubChem CID61088026
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name(4-chlorophenyl)-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C11H11ClN2O/c1-14-7-9(6-13-14)11(15)8-2-4-10(12)5-3-8/h2-7,11,15H,1H3
InChIKeyQJCINTCKJDBLKD-UHFFFAOYSA-N
XLogP2.16
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 63895357
(3-chloro-4-iodophenyl)-(1-methylpyrazol-4-yl)methanol
CID 103216660
(3,4-diethoxyphenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088204
(3,5-dichloro-2-pyridinyl)-(1-methylpyrazol-4-yl)methanol
CID 79780527
(6-methoxy-3-pyridinyl)-(1-methylpyrazol-4-yl)methanol
CID 114937913
[6-(dimethylamino)-3-pyridinyl]-(1-methylpyrazol-4-yl)methanol
CID 114273085
(4-chlorophenyl)-(2-methylpyrazol-3-yl)methanol
CID 11550333
(2-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088379
(3-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 114981782
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(1-methylpyrazol-4-yl)methanol
CID 63894860
(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methanol
CID 115373634
(1R)-2,2,2-trichloro-1-(1-methylpyrazol-4-yl)ethanol
CID 95969833

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(1-methylpyrazol-4-yl)methanol?
The IUPAC name of (4-chlorophenyl)-(1-methylpyrazol-4-yl)methanol (CID 61088026) is (4-chlorophenyl)-(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for (4-chlorophenyl)-(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for (4-chlorophenyl)-(1-methylpyrazol-4-yl)methanol is Cn1cc(C(O)c2ccc(Cl)cc2)cn1.
What is the InChIKey of (4-chlorophenyl)-(1-methylpyrazol-4-yl)methanol?
The InChIKey is QJCINTCKJDBLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-14-7-9(6-13-14)11(15)8-2-4-10(12)5-3-8/h2-7,11,15H,1H3.
What are the key properties of (4-chlorophenyl)-(1-methylpyrazol-4-yl)methanol?
(4-chlorophenyl)-(1-methylpyrazol-4-yl)methanol has a molecular weight of 222.68 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 61088026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).