(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol

C7H11ClN2O — CID 57359274

IUPAC(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
SMILESCCc1nn(C)c(CO)c1Cl
InChIInChI=1S/C7H11ClN2O/c1-3-5-7(8)6(4-11)10(2)9-5/h11H,3-4H2,1-2H3
InChIKeyCCGRWYYVECOFDH-UHFFFAOYSA-N
MW174.63 g/mol
LogP1.13
Rot. Bonds2

About (4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol

(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol (PubChem CID 57359274) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is (4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
PubChem CID57359274
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
SMILESCCc1nn(C)c(CO)c1Cl
InChIInChI=1S/C7H11ClN2O/c1-3-5-7(8)6(4-11)10(2)9-5/h11H,3-4H2,1-2H3
InChIKeyCCGRWYYVECOFDH-UHFFFAOYSA-N
XLogP1.13
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
CID 66026714
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 79450201
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-2,3-dimethylbutan-2-ol
CID 114228361
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N'-hydroxyethanimidamide
CID 77103344
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 106672188
1-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-2-ol
CID 66037920
4-chloro-5-[2-(chloromethyl)-2-methylbutyl]-3-ethyl-1-methylpyrazole
CID 66033404
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethylhexan-1-ol
CID 66058287
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-hydroxy-2-methylpropanal
CID 66037669
(2R)-2-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 106702822
[4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]piperidin-4-yl]methanol
CID 66026319
3-amino-1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methylpentan-2-one
CID 116590517

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol?
The IUPAC name of (4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol (CID 57359274) is (4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol.
What is the SMILES notation for (4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol?
The canonical SMILES for (4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol is CCc1nn(C)c(CO)c1Cl.
What is the InChIKey of (4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol?
The InChIKey is CCGRWYYVECOFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O/c1-3-5-7(8)6(4-11)10(2)9-5/h11H,3-4H2,1-2H3.
What are the key properties of (4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol?
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol has a molecular weight of 174.63 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol is sourced from PubChem (CID 57359274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).