4-chloro-1-(2-ethyl-4,4-difluorobutyl)pyrazol-3-amine

C9H14ClF2N3 — CID 165472775

IUPAC4-chloro-1-(2-ethyl-4,4-difluorobutyl)pyrazol-3-amine
SMILESCCC(CC(F)F)Cn1cc(Cl)c(N)n1
InChIInChI=1S/C9H14ClF2N3/c1-2-6(3-8(11)12)4-15-5-7(10)9(13)14-15/h5-6,8H,2-4H2,1H3,(H2,13,14)
InChIKeyTUXUXGCXGNVFSE-UHFFFAOYSA-N
MW237.68 g/mol
LogP2.80
Rot. Bonds5

About 4-chloro-1-(2-ethyl-4,4-difluorobutyl)pyrazol-3-amine

4-chloro-1-(2-ethyl-4,4-difluorobutyl)pyrazol-3-amine (PubChem CID 165472775) has the molecular formula C9H14ClF2N3 and a molecular weight of 237.68 g/mol. Its IUPAC name is 4-chloro-1-(2-ethyl-4,4-difluorobutyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-(2-ethyl-4,4-difluorobutyl)pyrazol-3-amine
PubChem CID165472775
Molecular FormulaC9H14ClF2N3
Molecular Weight237.68 g/mol
Exact Mass237.08
IUPAC Name4-chloro-1-(2-ethyl-4,4-difluorobutyl)pyrazol-3-amine
SMILESCCC(CC(F)F)Cn1cc(Cl)c(N)n1
InChIInChI=1S/C9H14ClF2N3/c1-2-6(3-8(11)12)4-15-5-7(10)9(13)14-15/h5-6,8H,2-4H2,1H3,(H2,13,14)
InChIKeyTUXUXGCXGNVFSE-UHFFFAOYSA-N
XLogP2.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.68
LogP ≤ 52.80
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-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
4-chloro-1-ethyl-1H-pyrazol-3-amine
CID 19576739
4-Chloro-1-(2,2,3,3-tetrafluoropropyl)-1H-pyrazol-3-amine
CID 19622831
4-Chloro-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-3-amine
CID 64040023
4-Chloro-1-(difluoromethyl)-1H-pyrazol-3-amine
CID 64041253
4-chloro-1-(3,3,3-trifluoropropyl)-1H-pyrazol-3-amine
CID 64553760

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-ethyl-4,4-difluorobutyl)pyrazol-3-amine?
The IUPAC name of 4-chloro-1-(2-ethyl-4,4-difluorobutyl)pyrazol-3-amine (CID 165472775) is 4-chloro-1-(2-ethyl-4,4-difluorobutyl)pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-(2-ethyl-4,4-difluorobutyl)pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-(2-ethyl-4,4-difluorobutyl)pyrazol-3-amine is CCC(CC(F)F)Cn1cc(Cl)c(N)n1.
What is the InChIKey of 4-chloro-1-(2-ethyl-4,4-difluorobutyl)pyrazol-3-amine?
The InChIKey is TUXUXGCXGNVFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClF2N3/c1-2-6(3-8(11)12)4-15-5-7(10)9(13)14-15/h5-6,8H,2-4H2,1H3,(H2,13,14).
What are the key properties of 4-chloro-1-(2-ethyl-4,4-difluorobutyl)pyrazol-3-amine?
4-chloro-1-(2-ethyl-4,4-difluorobutyl)pyrazol-3-amine has a molecular weight of 237.68 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-ethyl-4,4-difluorobutyl)pyrazol-3-amine is sourced from PubChem (CID 165472775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).