3-chloro-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole;ethane

C11H17ClF2N4 — CID 177229938

IUPAC3-chloro-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole;ethane
SMILESCC.CC.FC(F)n1cc(-n2ccc(Cl)n2)cn1
InChIInChI=1S/C7H5ClF2N4.2C2H6/c8-6-1-2-13(12-6)5-3-11-14(4-5)7(9)10;2*1-2/h1-4,7H;2*1-2H3
InChIKeyVNWBWRANYRUHQH-UHFFFAOYSA-N
MW278.73 g/mol
LogP4.17
Rot. Bonds2

About 3-chloro-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole;ethane

3-chloro-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole;ethane (PubChem CID 177229938) has the molecular formula C11H17ClF2N4 and a molecular weight of 278.73 g/mol. Its IUPAC name is 3-chloro-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole;ethane.

Molecular Properties

Compound Name3-chloro-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole;ethane
PubChem CID177229938
Molecular FormulaC11H17ClF2N4
Molecular Weight278.73 g/mol
Exact Mass278.11
IUPAC Name3-chloro-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole;ethane
SMILESCC.CC.FC(F)n1cc(-n2ccc(Cl)n2)cn1
InChIInChI=1S/C7H5ClF2N4.2C2H6/c8-6-1-2-13(12-6)5-3-11-14(4-5)7(9)10;2*1-2/h1-4,7H;2*1-2H3
InChIKeyVNWBWRANYRUHQH-UHFFFAOYSA-N
XLogP4.17
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.73
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(difluoromethyl)-4-(3-propan-2-ylpyrazol-1-yl)pyrazole
CID 166088478
5-(3-chloropyrazol-1-yl)-2-(trifluoromethyl)pyridine;ethane
CID 177229959
1-(difluoromethyl)-4-(4-methylphenyl)pyrazole;ethane
CID 178061150
3-(3-chloropyrazol-1-yl)pyridine;hydrochloride
CID 118023472
1-(difluoromethyl)-4-(4-methylphenyl)pyrazole
CID 121385898
[1-(difluoromethyl)pyrazol-4-yl] hypoiodite
CID 155364155
6-chloro-8-[(1S,2S)-2-[1-(difluoromethyl)pyrazol-4-yl]cyclopropyl]imidazo[1,2-b]pyridazine
CID 157033097
1-[4-chloro-3-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-N-methylmethanamine
CID 171392314
2-chloro-1-[1-(difluoromethyl)pyrazol-4-yl]ethanone
CID 122241058
N-methyl-1-[1-(1-methylpyrazol-4-yl)pyrazol-3-yl]methanamine
CID 79786122
4-[1-(difluoromethyl)pyrazol-4-yl]-2-methylbenzoic acid
CID 171392245
6-(4-chlorophenyl)-2-[1-(difluoromethyl)pyrazol-4-yl]-3-oxo-N-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyridazine-4-carboxamide
CID 155351324

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole;ethane?
The IUPAC name of 3-chloro-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole;ethane (CID 177229938) is 3-chloro-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole;ethane.
What is the SMILES notation for 3-chloro-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole;ethane?
The canonical SMILES for 3-chloro-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole;ethane is CC.CC.FC(F)n1cc(-n2ccc(Cl)n2)cn1.
What is the InChIKey of 3-chloro-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole;ethane?
The InChIKey is VNWBWRANYRUHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N4.2C2H6/c8-6-1-2-13(12-6)5-3-11-14(4-5)7(9)10;2*1-2/h1-4,7H;2*1-2H3.
What are the key properties of 3-chloro-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole;ethane?
3-chloro-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole;ethane has a molecular weight of 278.73 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[1-(difluoromethyl)pyrazol-4-yl]pyrazole;ethane is sourced from PubChem (CID 177229938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).