4-chloro-1-(3,3,3-trifluoropropyl)pyrazol-3-amine

C6H7ClF3N3 — CID 64553760

IUPAC4-chloro-1-(3,3,3-trifluoropropyl)pyrazol-3-amine
SMILESNc1nn(CCC(F)(F)F)cc1Cl
InChIInChI=1S/C6H7ClF3N3/c7-4-3-13(12-5(4)11)2-1-6(8,9)10/h3H,1-2H2,(H2,11,12)
InChIKeyZLRVGUGYSZOLCM-UHFFFAOYSA-N
MW213.59 g/mol
LogP2.07
Rot. Bonds2

About 4-chloro-1-(3,3,3-trifluoropropyl)pyrazol-3-amine

4-chloro-1-(3,3,3-trifluoropropyl)pyrazol-3-amine (PubChem CID 64553760) has the molecular formula C6H7ClF3N3 and a molecular weight of 213.59 g/mol. Its IUPAC name is 4-chloro-1-(3,3,3-trifluoropropyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-(3,3,3-trifluoropropyl)pyrazol-3-amine
PubChem CID64553760
Molecular FormulaC6H7ClF3N3
Molecular Weight213.59 g/mol
Exact Mass213.03
IUPAC Name4-chloro-1-(3,3,3-trifluoropropyl)pyrazol-3-amine
SMILESNc1nn(CCC(F)(F)F)cc1Cl
InChIInChI=1S/C6H7ClF3N3/c7-4-3-13(12-5(4)11)2-1-6(8,9)10/h3H,1-2H2,(H2,11,12)
InChIKeyZLRVGUGYSZOLCM-UHFFFAOYSA-N
XLogP2.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.59
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-(3,3,3-trifluoropropyl)-1H-pyrazol-3-amine
CID 50896592
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3,3,3-trifluoropropyl)pyrazol-3-amine?
The IUPAC name of 4-chloro-1-(3,3,3-trifluoropropyl)pyrazol-3-amine (CID 64553760) is 4-chloro-1-(3,3,3-trifluoropropyl)pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-(3,3,3-trifluoropropyl)pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-(3,3,3-trifluoropropyl)pyrazol-3-amine is Nc1nn(CCC(F)(F)F)cc1Cl.
What is the InChIKey of 4-chloro-1-(3,3,3-trifluoropropyl)pyrazol-3-amine?
The InChIKey is ZLRVGUGYSZOLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF3N3/c7-4-3-13(12-5(4)11)2-1-6(8,9)10/h3H,1-2H2,(H2,11,12).
What are the key properties of 4-chloro-1-(3,3,3-trifluoropropyl)pyrazol-3-amine?
4-chloro-1-(3,3,3-trifluoropropyl)pyrazol-3-amine has a molecular weight of 213.59 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3,3,3-trifluoropropyl)pyrazol-3-amine is sourced from PubChem (CID 64553760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).