N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-methylpyrazol-3-amine;hydrochloride

C9H12ClF2N5 — CID 126966257

IUPACN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-methylpyrazol-3-amine;hydrochloride
SMILESCl.Cn1ccc(NCc2ccnn2C(F)F)n1
InChIInChI=1S/C9H11F2N5.ClH/c1-15-5-3-8(14-15)12-6-7-2-4-13-16(7)9(10)11;/h2-5,9H,6H2,1H3,(H,12,14);1H
InChIKeyWLUOXARUKMLILD-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.05
Rot. Bonds4

About N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-methylpyrazol-3-amine;hydrochloride

N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-methylpyrazol-3-amine;hydrochloride (PubChem CID 126966257) has the molecular formula C9H12ClF2N5 and a molecular weight of 263.68 g/mol. Its IUPAC name is N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-methylpyrazol-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-methylpyrazol-3-amine;hydrochloride
PubChem CID126966257
Molecular FormulaC9H12ClF2N5
Molecular Weight263.68 g/mol
Exact Mass263.07
IUPAC NameN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-methylpyrazol-3-amine;hydrochloride
SMILESCl.Cn1ccc(NCc2ccnn2C(F)F)n1
InChIInChI=1S/C9H11F2N5.ClH/c1-15-5-3-8(14-15)12-6-7-2-4-13-16(7)9(10)11;/h2-5,9H,6H2,1H3,(H,12,14);1H
InChIKeyWLUOXARUKMLILD-UHFFFAOYSA-N
XLogP2.05
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-methylpyrazol-3-amine;hydrochloride?
The IUPAC name of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-methylpyrazol-3-amine;hydrochloride (CID 126966257) is N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-methylpyrazol-3-amine;hydrochloride.
What is the SMILES notation for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-methylpyrazol-3-amine;hydrochloride?
The canonical SMILES for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-methylpyrazol-3-amine;hydrochloride is Cl.Cn1ccc(NCc2ccnn2C(F)F)n1.
What is the InChIKey of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-methylpyrazol-3-amine;hydrochloride?
The InChIKey is WLUOXARUKMLILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N5.ClH/c1-15-5-3-8(14-15)12-6-7-2-4-13-16(7)9(10)11;/h2-5,9H,6H2,1H3,(H,12,14);1H.
What are the key properties of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-methylpyrazol-3-amine;hydrochloride?
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-methylpyrazol-3-amine;hydrochloride has a molecular weight of 263.68 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-methylpyrazol-3-amine;hydrochloride is sourced from PubChem (CID 126966257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).