1-(difluoromethyl)pyrazol-4-amine;hydrochloride

C4H6ClF2N3 — CID 47002394

IUPAC1-(difluoromethyl)pyrazol-4-amine;hydrochloride
SMILESCl.Nc1cnn(C(F)F)c1
InChIInChI=1S/C4H5F2N3.ClH/c5-4(6)9-2-3(7)1-8-9;/h1-2,4H,7H2;1H
InChIKeyVFTVLJWWKQMKJK-UHFFFAOYSA-N
MW169.56 g/mol
LogP1.28
Rot. Bonds1

About 1-(difluoromethyl)pyrazol-4-amine;hydrochloride

1-(difluoromethyl)pyrazol-4-amine;hydrochloride (PubChem CID 47002394) has the molecular formula C4H6ClF2N3 and a molecular weight of 169.56 g/mol. Its IUPAC name is 1-(difluoromethyl)pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(difluoromethyl)pyrazol-4-amine;hydrochloride
PubChem CID47002394
Molecular FormulaC4H6ClF2N3
Molecular Weight169.56 g/mol
Exact Mass169.02
IUPAC Name1-(difluoromethyl)pyrazol-4-amine;hydrochloride
SMILESCl.Nc1cnn(C(F)F)c1
InChIInChI=1S/C4H5F2N3.ClH/c5-4(6)9-2-3(7)1-8-9;/h1-2,4H,7H2;1H
InChIKeyVFTVLJWWKQMKJK-UHFFFAOYSA-N
XLogP1.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.56
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)pyrazol-4-amine;hydrochloride?
The IUPAC name of 1-(difluoromethyl)pyrazol-4-amine;hydrochloride (CID 47002394) is 1-(difluoromethyl)pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-(difluoromethyl)pyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-(difluoromethyl)pyrazol-4-amine;hydrochloride is Cl.Nc1cnn(C(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)pyrazol-4-amine;hydrochloride?
The InChIKey is VFTVLJWWKQMKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2N3.ClH/c5-4(6)9-2-3(7)1-8-9;/h1-2,4H,7H2;1H.
What are the key properties of 1-(difluoromethyl)pyrazol-4-amine;hydrochloride?
1-(difluoromethyl)pyrazol-4-amine;hydrochloride has a molecular weight of 169.56 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 47002394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).