(4-chloro-3,5-dimethylpyrazol-1-yl)methanol

C6H9ClN2O — CID 7018577

IUPAC(4-chloro-3,5-dimethylpyrazol-1-yl)methanol
SMILESCc1nn(CO)c(C)c1Cl
InChIInChI=1S/C6H9ClN2O/c1-4-6(7)5(2)9(3-10)8-4/h10H,3H2,1-2H3
InChIKeyNVICRVZMUABBKZ-UHFFFAOYSA-N
MW160.60 g/mol
LogP1.10
Rot. Bonds1

About (4-chloro-3,5-dimethylpyrazol-1-yl)methanol

(4-chloro-3,5-dimethylpyrazol-1-yl)methanol (PubChem CID 7018577) has the molecular formula C6H9ClN2O and a molecular weight of 160.60 g/mol. Its IUPAC name is (4-chloro-3,5-dimethylpyrazol-1-yl)methanol.

Molecular Properties

Compound Name(4-chloro-3,5-dimethylpyrazol-1-yl)methanol
PubChem CID7018577
Molecular FormulaC6H9ClN2O
Molecular Weight160.60 g/mol
Exact Mass160.04
IUPAC Name(4-chloro-3,5-dimethylpyrazol-1-yl)methanol
SMILESCc1nn(CO)c(C)c1Cl
InChIInChI=1S/C6H9ClN2O/c1-4-6(7)5(2)9(3-10)8-4/h10H,3H2,1-2H3
InChIKeyNVICRVZMUABBKZ-UHFFFAOYSA-N
XLogP1.10
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethylpyrazol-1-methanol
CID 96393
(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
CID 919266
4-chloro-1,3,5-trimethyl-1 H-pyrazole
CID 13951696
4-bromo-3,5-dimethyl-1H-pyrazole-1-methanol
CID 96714
2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-amine
CID 6484254
1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-one
CID 3806122
3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanenitrile
CID 7017522
2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-ol
CID 19616519
4-Chloro-3-(chloromethyl)-1,5-dimethyl-1H-pyrazole
CID 178343855
4-Chloro-1-(difluoromethyl)-3,5-dimethyl-1H-pyrazole
CID 129794178
3,5-Dimethyl-1-hydroxymethylpyrazol hydrochloride
CID 23166942
4-Chloro-1,5-dimethyl-3-(trifluoromethyl)-1h-pyrazole
CID 14770656

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3,5-dimethylpyrazol-1-yl)methanol?
The IUPAC name of (4-chloro-3,5-dimethylpyrazol-1-yl)methanol (CID 7018577) is (4-chloro-3,5-dimethylpyrazol-1-yl)methanol.
What is the SMILES notation for (4-chloro-3,5-dimethylpyrazol-1-yl)methanol?
The canonical SMILES for (4-chloro-3,5-dimethylpyrazol-1-yl)methanol is Cc1nn(CO)c(C)c1Cl.
What is the InChIKey of (4-chloro-3,5-dimethylpyrazol-1-yl)methanol?
The InChIKey is NVICRVZMUABBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O/c1-4-6(7)5(2)9(3-10)8-4/h10H,3H2,1-2H3.
What are the key properties of (4-chloro-3,5-dimethylpyrazol-1-yl)methanol?
(4-chloro-3,5-dimethylpyrazol-1-yl)methanol has a molecular weight of 160.60 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3,5-dimethylpyrazol-1-yl)methanol is sourced from PubChem (CID 7018577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).