5-chloro-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole

C8H10ClF3N2 — CID 176763523

IUPAC5-chloro-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCC(C)c1cnn(CC(F)(F)F)c1Cl
InChIInChI=1S/C8H10ClF3N2/c1-5(2)6-3-13-14(7(6)9)4-8(10,11)12/h3,5H,4H2,1-2H3
InChIKeyIPGAFUVIRVEZPT-UHFFFAOYSA-N
MW226.63 g/mol
LogP3.22
Rot. Bonds2

About 5-chloro-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole

5-chloro-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 176763523) has the molecular formula C8H10ClF3N2 and a molecular weight of 226.63 g/mol. Its IUPAC name is 5-chloro-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name5-chloro-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID176763523
Molecular FormulaC8H10ClF3N2
Molecular Weight226.63 g/mol
Exact Mass226.05
IUPAC Name5-chloro-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCC(C)c1cnn(CC(F)(F)F)c1Cl
InChIInChI=1S/C8H10ClF3N2/c1-5(2)6-3-13-14(7(6)9)4-8(10,11)12/h3,5H,4H2,1-2H3
InChIKeyIPGAFUVIRVEZPT-UHFFFAOYSA-N
XLogP3.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.63
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine
CID 59544188
5-chloro-1,4-di(propan-2-yl)pyrazole
CID 90145823
5-(difluoromethyl)-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 170379612
4,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole;ethane
CID 169218060
4-chloro-5-(3-methylbutylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114432239
4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114442151
1-(2,2-difluoroethyl)-5-methyl-4-propan-2-ylpyrazole
CID 166499981
4-tert-butyl-5-methyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 58157500
4,5-ditert-butyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 154613482
4-chloro-5-(pentan-3-ylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114431618
5-[(1-amino-3-methylbutan-2-yl)amino]-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114445709
4-chloro-5-(2-methylsulfanylpropylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114442020

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 5-chloro-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole (CID 176763523) is 5-chloro-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 5-chloro-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 5-chloro-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole is CC(C)c1cnn(CC(F)(F)F)c1Cl.
What is the InChIKey of 5-chloro-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is IPGAFUVIRVEZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N2/c1-5(2)6-3-13-14(7(6)9)4-8(10,11)12/h3,5H,4H2,1-2H3.
What are the key properties of 5-chloro-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole?
5-chloro-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 226.63 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 176763523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).