4-chloro-1-(difluoromethyl)-5-methylpyrazol-3-amine

C5H6ClF2N3 — CID 154881941

IUPAC4-chloro-1-(difluoromethyl)-5-methylpyrazol-3-amine
SMILESCc1c(Cl)c(N)nn1C(F)F
InChIInChI=1S/C5H6ClF2N3/c1-2-3(6)4(9)10-11(2)5(7)8/h5H,1H3,(H2,9,10)
InChIKeyWHYLHVRIMYCYDZ-UHFFFAOYSA-N
MW181.57 g/mol
LogP1.82
Rot. Bonds1

About 4-chloro-1-(difluoromethyl)-5-methylpyrazol-3-amine

4-chloro-1-(difluoromethyl)-5-methylpyrazol-3-amine (PubChem CID 154881941) has the molecular formula C5H6ClF2N3 and a molecular weight of 181.57 g/mol. Its IUPAC name is 4-chloro-1-(difluoromethyl)-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-(difluoromethyl)-5-methylpyrazol-3-amine
PubChem CID154881941
Molecular FormulaC5H6ClF2N3
Molecular Weight181.57 g/mol
Exact Mass181.02
IUPAC Name4-chloro-1-(difluoromethyl)-5-methylpyrazol-3-amine
SMILESCc1c(Cl)c(N)nn1C(F)F
InChIInChI=1S/C5H6ClF2N3/c1-2-3(6)4(9)10-11(2)5(7)8/h5H,1H3,(H2,9,10)
InChIKeyWHYLHVRIMYCYDZ-UHFFFAOYSA-N
XLogP1.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.57
LogP ≤ 51.82
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-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 22912798
1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-amine hydrochloride
CID 90482949
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-chloro-N,1-dipropyl-5-(trifluoromethyl)pyrazol-3-amine
CID 71062311
4-Chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-amine
CID 83908287
4-Fluoro-1,3-dimethyl-1H-pyrazol-5-amine
CID 86126002
4-Iodo-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 97182143
4-Chloro-3-fluoro-1,5-dimethylpyrazole
CID 138494750

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(difluoromethyl)-5-methylpyrazol-3-amine?
The IUPAC name of 4-chloro-1-(difluoromethyl)-5-methylpyrazol-3-amine (CID 154881941) is 4-chloro-1-(difluoromethyl)-5-methylpyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-(difluoromethyl)-5-methylpyrazol-3-amine?
The canonical SMILES for 4-chloro-1-(difluoromethyl)-5-methylpyrazol-3-amine is Cc1c(Cl)c(N)nn1C(F)F.
What is the InChIKey of 4-chloro-1-(difluoromethyl)-5-methylpyrazol-3-amine?
The InChIKey is WHYLHVRIMYCYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClF2N3/c1-2-3(6)4(9)10-11(2)5(7)8/h5H,1H3,(H2,9,10).
What are the key properties of 4-chloro-1-(difluoromethyl)-5-methylpyrazol-3-amine?
4-chloro-1-(difluoromethyl)-5-methylpyrazol-3-amine has a molecular weight of 181.57 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(difluoromethyl)-5-methylpyrazol-3-amine is sourced from PubChem (CID 154881941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).