[1-(difluoromethyl)pyrazol-3-yl]methanamine;hydrochloride

C5H8ClF2N3 — CID 90486237

IUPAC[1-(difluoromethyl)pyrazol-3-yl]methanamine;hydrochloride
SMILESCl.NCc1ccn(C(F)F)n1
InChIInChI=1S/C5H7F2N3.ClH/c6-5(7)10-2-1-4(3-8)9-10;/h1-2,5H,3,8H2;1H
InChIKeyKPKHMWJMZCHKTF-UHFFFAOYSA-N
MW183.59 g/mol
LogP1.16
Rot. Bonds2

About [1-(difluoromethyl)pyrazol-3-yl]methanamine;hydrochloride

[1-(difluoromethyl)pyrazol-3-yl]methanamine;hydrochloride (PubChem CID 90486237) has the molecular formula C5H8ClF2N3 and a molecular weight of 183.59 g/mol. Its IUPAC name is [1-(difluoromethyl)pyrazol-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(difluoromethyl)pyrazol-3-yl]methanamine;hydrochloride
PubChem CID90486237
Molecular FormulaC5H8ClF2N3
Molecular Weight183.59 g/mol
Exact Mass183.04
IUPAC Name[1-(difluoromethyl)pyrazol-3-yl]methanamine;hydrochloride
SMILESCl.NCc1ccn(C(F)F)n1
InChIInChI=1S/C5H7F2N3.ClH/c6-5(7)10-2-1-4(3-8)9-10;/h1-2,5H,3,8H2;1H
InChIKeyKPKHMWJMZCHKTF-UHFFFAOYSA-N
XLogP1.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.59
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)pyrazol-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-(difluoromethyl)pyrazol-3-yl]methanamine;hydrochloride (CID 90486237) is [1-(difluoromethyl)pyrazol-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(difluoromethyl)pyrazol-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(difluoromethyl)pyrazol-3-yl]methanamine;hydrochloride is Cl.NCc1ccn(C(F)F)n1.
What is the InChIKey of [1-(difluoromethyl)pyrazol-3-yl]methanamine;hydrochloride?
The InChIKey is KPKHMWJMZCHKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3.ClH/c6-5(7)10-2-1-4(3-8)9-10;/h1-2,5H,3,8H2;1H.
What are the key properties of [1-(difluoromethyl)pyrazol-3-yl]methanamine;hydrochloride?
[1-(difluoromethyl)pyrazol-3-yl]methanamine;hydrochloride has a molecular weight of 183.59 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)pyrazol-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 90486237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).