[3-chloro-5-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol

C7H9ClF2N2O — CID 156705155

IUPAC[3-chloro-5-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol
SMILESCCn1nc(Cl)c(CO)c1C(F)F
InChIInChI=1S/C7H9ClF2N2O/c1-2-12-5(7(9)10)4(3-13)6(8)11-12/h7,13H,2-3H2,1H3
InChIKeyURQWBRIRLLQHDC-UHFFFAOYSA-N
MW210.61 g/mol
LogP1.99
Rot. Bonds3

About [3-chloro-5-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol

[3-chloro-5-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol (PubChem CID 156705155) has the molecular formula C7H9ClF2N2O and a molecular weight of 210.61 g/mol. Its IUPAC name is [3-chloro-5-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-chloro-5-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol
PubChem CID156705155
Molecular FormulaC7H9ClF2N2O
Molecular Weight210.61 g/mol
Exact Mass210.04
IUPAC Name[3-chloro-5-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol
SMILESCCn1nc(Cl)c(CO)c1C(F)F
InChIInChI=1S/C7H9ClF2N2O/c1-2-12-5(7(9)10)4(3-13)6(8)11-12/h7,13H,2-3H2,1H3
InChIKeyURQWBRIRLLQHDC-UHFFFAOYSA-N
XLogP1.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.61
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-(difluoromethyl)-1-ethylpyrazole-4-carbaldehyde
CID 153366257
(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanol
CID 61265708
4-(bromomethyl)-5-chloro-3-(difluoromethyl)-1-ethylpyrazole
CID 153366265
3-[[3-chloro-5-(difluoromethyl)-1-ethylpyrazol-4-yl]-difluoromethyl]sulfonyl-5,5-dimethyl-4H-1,2-oxazole
CID 150794983
[4-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol
CID 130074319
3-chloro-1-ethylpyrazole-4,5-diamine
CID 66769875
3-chloro-4-(chloromethyl)-5-cyclopropyl-1-ethylpyrazole
CID 162371639
(1,3-diethyl-5-methoxypyrazol-4-yl)methanol
CID 117124459
3,5-bis(difluoromethyl)-1-ethylpyrazole
CID 118971783
4-chloro-1-ethyl-5-propan-2-yltriazole
CID 69386355
1-(4-chloro-2,5-difluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 115816497
[3-bromo-2-chloro-5-(difluoromethyl)-4-pyridinyl]methanol
CID 130108201

Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol?
The IUPAC name of [3-chloro-5-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol (CID 156705155) is [3-chloro-5-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol.
What is the SMILES notation for [3-chloro-5-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol?
The canonical SMILES for [3-chloro-5-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol is CCn1nc(Cl)c(CO)c1C(F)F.
What is the InChIKey of [3-chloro-5-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol?
The InChIKey is URQWBRIRLLQHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF2N2O/c1-2-12-5(7(9)10)4(3-13)6(8)11-12/h7,13H,2-3H2,1H3.
What are the key properties of [3-chloro-5-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol?
[3-chloro-5-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol has a molecular weight of 210.61 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-(difluoromethyl)-1-ethylpyrazol-4-yl]methanol is sourced from PubChem (CID 156705155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).