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

C8H12ClF2N3 — CID 165472724

IUPAC4-chloro-1-(4,4-difluoro-2-methylbutyl)pyrazol-3-amine
SMILESCC(CC(F)F)Cn1cc(Cl)c(N)n1
InChIInChI=1S/C8H12ClF2N3/c1-5(2-7(10)11)3-14-4-6(9)8(12)13-14/h4-5,7H,2-3H2,1H3,(H2,12,13)
InChIKeyGWRNOZALKNFWHZ-UHFFFAOYSA-N
MW223.65 g/mol
LogP2.41
Rot. Bonds4

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

4-chloro-1-(4,4-difluoro-2-methylbutyl)pyrazol-3-amine (PubChem CID 165472724) has the molecular formula C8H12ClF2N3 and a molecular weight of 223.65 g/mol. Its IUPAC name is 4-chloro-1-(4,4-difluoro-2-methylbutyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-(4,4-difluoro-2-methylbutyl)pyrazol-3-amine
PubChem CID165472724
Molecular FormulaC8H12ClF2N3
Molecular Weight223.65 g/mol
Exact Mass223.07
IUPAC Name4-chloro-1-(4,4-difluoro-2-methylbutyl)pyrazol-3-amine
SMILESCC(CC(F)F)Cn1cc(Cl)c(N)n1
InChIInChI=1S/C8H12ClF2N3/c1-5(2-7(10)11)3-14-4-6(9)8(12)13-14/h4-5,7H,2-3H2,1H3,(H2,12,13)
InChIKeyGWRNOZALKNFWHZ-UHFFFAOYSA-N
XLogP2.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.65
LogP ≤ 52.41
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-difluoro-2-methylbutyl)pyrazol-3-amine?
The IUPAC name of 4-chloro-1-(4,4-difluoro-2-methylbutyl)pyrazol-3-amine (CID 165472724) is 4-chloro-1-(4,4-difluoro-2-methylbutyl)pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-(4,4-difluoro-2-methylbutyl)pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-(4,4-difluoro-2-methylbutyl)pyrazol-3-amine is CC(CC(F)F)Cn1cc(Cl)c(N)n1.
What is the InChIKey of 4-chloro-1-(4,4-difluoro-2-methylbutyl)pyrazol-3-amine?
The InChIKey is GWRNOZALKNFWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClF2N3/c1-5(2-7(10)11)3-14-4-6(9)8(12)13-14/h4-5,7H,2-3H2,1H3,(H2,12,13).
What are the key properties of 4-chloro-1-(4,4-difluoro-2-methylbutyl)pyrazol-3-amine?
4-chloro-1-(4,4-difluoro-2-methylbutyl)pyrazol-3-amine has a molecular weight of 223.65 g/mol, XLogP of 2.41, 4 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-difluoro-2-methylbutyl)pyrazol-3-amine is sourced from PubChem (CID 165472724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).