3-(difluoromethoxy)-1-methylpyrazol-4-amine;hydrochloride

C5H8ClF2N3O — CID 122673435

IUPAC3-(difluoromethoxy)-1-methylpyrazol-4-amine;hydrochloride
SMILESCl.Cn1cc(N)c(OC(F)F)n1
InChIInChI=1S/C5H7F2N3O.ClH/c1-10-2-3(8)4(9-10)11-5(6)7;/h2,5H,8H2,1H3;1H
InChIKeyHXQSCFDIECXRPH-UHFFFAOYSA-N
MW199.59 g/mol
LogP1.03
Rot. Bonds2

About 3-(difluoromethoxy)-1-methylpyrazol-4-amine;hydrochloride

3-(difluoromethoxy)-1-methylpyrazol-4-amine;hydrochloride (PubChem CID 122673435) has the molecular formula C5H8ClF2N3O and a molecular weight of 199.59 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1-methylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name3-(difluoromethoxy)-1-methylpyrazol-4-amine;hydrochloride
PubChem CID122673435
Molecular FormulaC5H8ClF2N3O
Molecular Weight199.59 g/mol
Exact Mass199.03
IUPAC Name3-(difluoromethoxy)-1-methylpyrazol-4-amine;hydrochloride
SMILESCl.Cn1cc(N)c(OC(F)F)n1
InChIInChI=1S/C5H7F2N3O.ClH/c1-10-2-3(8)4(9-10)11-5(6)7;/h2,5H,8H2,1H3;1H
InChIKeyHXQSCFDIECXRPH-UHFFFAOYSA-N
XLogP1.03
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.59
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-1-methylpyrazol-4-amine;hydrochloride?
The IUPAC name of 3-(difluoromethoxy)-1-methylpyrazol-4-amine;hydrochloride (CID 122673435) is 3-(difluoromethoxy)-1-methylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 3-(difluoromethoxy)-1-methylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 3-(difluoromethoxy)-1-methylpyrazol-4-amine;hydrochloride is Cl.Cn1cc(N)c(OC(F)F)n1.
What is the InChIKey of 3-(difluoromethoxy)-1-methylpyrazol-4-amine;hydrochloride?
The InChIKey is HXQSCFDIECXRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3O.ClH/c1-10-2-3(8)4(9-10)11-5(6)7;/h2,5H,8H2,1H3;1H.
What are the key properties of 3-(difluoromethoxy)-1-methylpyrazol-4-amine;hydrochloride?
3-(difluoromethoxy)-1-methylpyrazol-4-amine;hydrochloride has a molecular weight of 199.59 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1-methylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 122673435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).