N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride

C11H14ClF4N5 — CID 126967623

IUPACN-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride
SMILESCc1c(CNc2ccn(C(F)F)n2)cnn1CC(F)F.Cl
InChIInChI=1S/C11H13F4N5.ClH/c1-7-8(5-17-20(7)6-9(12)13)4-16-10-2-3-19(18-10)11(14)15;/h2-3,5,9,11H,4,6H2,1H3,(H,16,18);1H
InChIKeyZYMNKXPTQKMLOR-UHFFFAOYSA-N
MW327.71 g/mol
LogP3.08
Rot. Bonds6

About N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride

N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride (PubChem CID 126967623) has the molecular formula C11H14ClF4N5 and a molecular weight of 327.71 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride
PubChem CID126967623
Molecular FormulaC11H14ClF4N5
Molecular Weight327.71 g/mol
Exact Mass327.09
IUPAC NameN-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride
SMILESCc1c(CNc2ccn(C(F)F)n2)cnn1CC(F)F.Cl
InChIInChI=1S/C11H13F4N5.ClH/c1-7-8(5-17-20(7)6-9(12)13)4-16-10-2-3-19(18-10)11(14)15;/h2-3,5,9,11H,4,6H2,1H3,(H,16,18);1H
InChIKeyZYMNKXPTQKMLOR-UHFFFAOYSA-N
XLogP3.08
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.71
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride?
The IUPAC name of N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride (CID 126967623) is N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride.
What is the SMILES notation for N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride?
The canonical SMILES for N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride is Cc1c(CNc2ccn(C(F)F)n2)cnn1CC(F)F.Cl.
What is the InChIKey of N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride?
The InChIKey is ZYMNKXPTQKMLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N5.ClH/c1-7-8(5-17-20(7)6-9(12)13)4-16-10-2-3-19(18-10)11(14)15;/h2-3,5,9,11H,4,6H2,1H3,(H,16,18);1H.
What are the key properties of N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride?
N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride has a molecular weight of 327.71 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 126967623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).