4-chloro-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine

C6H6ClF4N3 — CID 19622831

IUPAC4-chloro-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine
SMILESNc1nn(CC(F)(F)C(F)F)cc1Cl
InChIInChI=1S/C6H6ClF4N3/c7-3-1-14(13-4(3)12)2-6(10,11)5(8)9/h1,5H,2H2,(H2,12,13)
InChIKeyDRPBBACYMJUMPJ-UHFFFAOYSA-N
MW231.58 g/mol
LogP2.02
Rot. Bonds3

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

4-chloro-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine (PubChem CID 19622831) has the molecular formula C6H6ClF4N3 and a molecular weight of 231.58 g/mol. Its IUPAC name is 4-chloro-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine
PubChem CID19622831
Molecular FormulaC6H6ClF4N3
Molecular Weight231.58 g/mol
Exact Mass231.02
IUPAC Name4-chloro-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine
SMILESNc1nn(CC(F)(F)C(F)F)cc1Cl
InChIInChI=1S/C6H6ClF4N3/c7-3-1-14(13-4(3)12)2-6(10,11)5(8)9/h1,5H,2H2,(H2,12,13)
InChIKeyDRPBBACYMJUMPJ-UHFFFAOYSA-N
XLogP2.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.58
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 19576777
4-Chloro-1-methyl-1H-pyrazol-3-amine
CID 19616928
4-Chloro-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 19619545
4-bromo-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 19619546
1-(2,2-difluoroethyl)-1H-pyrazol-3-amine
CID 19622830
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
1-(difluoromethyl)-1H-pyrazol-3-amine hydrochloride
CID 53629698
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-fluoro-1-methyl-1H-pyrazol-3-amine
CID 130889631
4-Chloro-1-isopropyl-1H-pyrazol-3-amine
CID 19619842

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine?
The IUPAC name of 4-chloro-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine (CID 19622831) is 4-chloro-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine is Nc1nn(CC(F)(F)C(F)F)cc1Cl.
What is the InChIKey of 4-chloro-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine?
The InChIKey is DRPBBACYMJUMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF4N3/c7-3-1-14(13-4(3)12)2-6(10,11)5(8)9/h1,5H,2H2,(H2,12,13).
What are the key properties of 4-chloro-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine?
4-chloro-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine has a molecular weight of 231.58 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine is sourced from PubChem (CID 19622831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).