4-chloro-1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-3-amine

C8H11ClF3N3 — CID 165479768

IUPAC4-chloro-1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-3-amine
SMILESCC(Cn1cc(Cl)c(N)n1)CC(F)(F)F
InChIInChI=1S/C8H11ClF3N3/c1-5(2-8(10,11)12)3-15-4-6(9)7(13)14-15/h4-5H,2-3H2,1H3,(H2,13,14)
InChIKeyVPWZMZAAIFUUHC-UHFFFAOYSA-N
MW241.64 g/mol
LogP2.71
Rot. Bonds3

About 4-chloro-1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-3-amine

4-chloro-1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-3-amine (PubChem CID 165479768) has the molecular formula C8H11ClF3N3 and a molecular weight of 241.64 g/mol. Its IUPAC name is 4-chloro-1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-3-amine
PubChem CID165479768
Molecular FormulaC8H11ClF3N3
Molecular Weight241.64 g/mol
Exact Mass241.06
IUPAC Name4-chloro-1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-3-amine
SMILESCC(Cn1cc(Cl)c(N)n1)CC(F)(F)F
InChIInChI=1S/C8H11ClF3N3/c1-5(2-8(10,11)12)3-15-4-6(9)7(13)14-15/h4-5H,2-3H2,1H3,(H2,13,14)
InChIKeyVPWZMZAAIFUUHC-UHFFFAOYSA-N
XLogP2.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.64
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-1-methyl-1H-pyrazol-3-amine
CID 19616928
4-Chloro-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 19619545
4-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 45602148
1-(2,2-difluoroethyl)-4-methyl-1H-pyrazol-3-amine
CID 45602158
4-chloro-1-ethyl-1H-pyrazol-3-amine hydrochloride
CID 90484219
4-chloro-1-(propan-2-yl)-1H-pyrazol-3-amine hydrochloride
CID 90484325
4-Chloro-1-isopropyl-1H-pyrazol-3-amine
CID 19619842
4-Chloro-1-(2,2-difluoroethyl)-1H-pyrazol-3-amine
CID 19622832
4-chloro-1-(2-fluoroethyl)-1H-pyrazol-3-amine
CID 80695035
1-Methyl-4-(trifluoromethyl)-1H-pyrazol-3-amine
CID 117653419
1-(2,2-Difluoroethyl)-4-ethylpyrazol-3-amine
CID 172310381
4-chloro-1-ethyl-1H-pyrazol-3-amine
CID 19576739

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-3-amine?
The IUPAC name of 4-chloro-1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-3-amine (CID 165479768) is 4-chloro-1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-3-amine is CC(Cn1cc(Cl)c(N)n1)CC(F)(F)F.
What is the InChIKey of 4-chloro-1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-3-amine?
The InChIKey is VPWZMZAAIFUUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF3N3/c1-5(2-8(10,11)12)3-15-4-6(9)7(13)14-15/h4-5H,2-3H2,1H3,(H2,13,14).
What are the key properties of 4-chloro-1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-3-amine?
4-chloro-1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-3-amine has a molecular weight of 241.64 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4,4,4-trifluoro-2-methylbutyl)pyrazol-3-amine is sourced from PubChem (CID 165479768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).