4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-amine

C5H5ClF3N3 — CID 22912801

IUPAC4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-amine
SMILESCn1nc(N)c(Cl)c1C(F)(F)F
InChIInChI=1S/C5H5ClF3N3/c1-12-3(5(7,8)9)2(6)4(10)11-12/h1H3,(H2,10,11)
InChIKeyKAMMGXKYYBIKOB-UHFFFAOYSA-N
MW199.56 g/mol
LogP1.67
Rot. Bonds

About 4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-amine

4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-amine (PubChem CID 22912801) has the molecular formula C5H5ClF3N3 and a molecular weight of 199.56 g/mol. Its IUPAC name is 4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-amine
PubChem CID22912801
Molecular FormulaC5H5ClF3N3
Molecular Weight199.56 g/mol
Exact Mass199.01
IUPAC Name4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-amine
SMILESCn1nc(N)c(Cl)c1C(F)(F)F
InChIInChI=1S/C5H5ClF3N3/c1-12-3(5(7,8)9)2(6)4(10)11-12/h1H3,(H2,10,11)
InChIKeyKAMMGXKYYBIKOB-UHFFFAOYSA-N
XLogP1.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.56
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-amine?
The IUPAC name of 4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-amine (CID 22912801) is 4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-amine is Cn1nc(N)c(Cl)c1C(F)(F)F.
What is the InChIKey of 4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-amine?
The InChIKey is KAMMGXKYYBIKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClF3N3/c1-12-3(5(7,8)9)2(6)4(10)11-12/h1H3,(H2,10,11).
What are the key properties of 4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-amine?
4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-amine has a molecular weight of 199.56 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-amine is sourced from PubChem (CID 22912801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).