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

C5H5ClF3N3 — CID 83908287

IUPAC4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCn1nc(C(F)(F)F)c(Cl)c1N
InChIInChI=1S/C5H5ClF3N3/c1-12-4(10)2(6)3(11-12)5(7,8)9/h10H2,1H3
InChIKeyLSKQZKAZAMAGNY-UHFFFAOYSA-N
MW199.56 g/mol
LogP1.67
Rot. Bonds

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

4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 83908287) has the molecular formula C5H5ClF3N3 and a molecular weight of 199.56 g/mol. Its IUPAC name is 4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID83908287
Molecular FormulaC5H5ClF3N3
Molecular Weight199.56 g/mol
Exact Mass199.01
IUPAC Name4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCn1nc(C(F)(F)F)c(Cl)c1N
InChIInChI=1S/C5H5ClF3N3/c1-12-4(10)2(6)3(11-12)5(7,8)9/h10H2,1H3
InChIKeyLSKQZKAZAMAGNY-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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Related Compounds

4-chloro-1,5-dimethyl-1H-pyrazol-3-amine
CID 19616929
1,4-dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 33783361
3-(difluoromethyl)-4-fluoro-1-methyl-1H-pyrazol-5-amine
CID 149745032
4-chloro-3-(difluoromethyl)-1-methyl-1H-pyrazol-5-amine
CID 151231044
4-Chloro-3-hydrazino-1-methyl-5-trifluoromethylpyrazole
CID 22912796
3-Amino-4-chloro-1-methyl-5-trifluoromethylpyrazole
CID 22912801
4-Bromo-2-methyl-5-trifluoromethyl-2H-pyrazol-3-ylamine
CID 56604764
4-chloro-N,1-dipropyl-5-(trifluoromethyl)pyrazol-3-amine
CID 71062311
4-Fluoro-1,3-dimethyl-1H-pyrazol-5-amine
CID 86126002
4-Iodo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 97182143
4-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-tetrazol-5-one
CID 136026358
4-fluoro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 151288474

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-amine (CID 83908287) is 4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-amine is Cn1nc(C(F)(F)F)c(Cl)c1N.
What is the InChIKey of 4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is LSKQZKAZAMAGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClF3N3/c1-12-4(10)2(6)3(11-12)5(7,8)9/h10H2,1H3.
What are the key properties of 4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-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-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 83908287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).