1-(difluoromethyl)-N-[(2,3-difluorophenyl)methyl]pyrazol-3-amine;hydrochloride

C11H10ClF4N3 — CID 126966418

IUPAC1-(difluoromethyl)-N-[(2,3-difluorophenyl)methyl]pyrazol-3-amine;hydrochloride
SMILESCl.Fc1cccc(CNc2ccn(C(F)F)n2)c1F
InChIInChI=1S/C11H9F4N3.ClH/c12-8-3-1-2-7(10(8)13)6-16-9-4-5-18(17-9)11(14)15;/h1-5,11H,6H2,(H,16,17);1H
InChIKeySSEYIBDZZKBBKS-UHFFFAOYSA-N
MW295.67 g/mol
LogP3.59
Rot. Bonds4

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

1-(difluoromethyl)-N-[(2,3-difluorophenyl)methyl]pyrazol-3-amine;hydrochloride (PubChem CID 126966418) has the molecular formula C11H10ClF4N3 and a molecular weight of 295.67 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(2,3-difluorophenyl)methyl]pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(2,3-difluorophenyl)methyl]pyrazol-3-amine;hydrochloride
PubChem CID126966418
Molecular FormulaC11H10ClF4N3
Molecular Weight295.67 g/mol
Exact Mass295.05
IUPAC Name1-(difluoromethyl)-N-[(2,3-difluorophenyl)methyl]pyrazol-3-amine;hydrochloride
SMILESCl.Fc1cccc(CNc2ccn(C(F)F)n2)c1F
InChIInChI=1S/C11H9F4N3.ClH/c12-8-3-1-2-7(10(8)13)6-16-9-4-5-18(17-9)11(14)15;/h1-5,11H,6H2,(H,16,17);1H
InChIKeySSEYIBDZZKBBKS-UHFFFAOYSA-N
XLogP3.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.67
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(difluoromethyl)-N-(furan-2-ylmethyl)pyrazol-3-amine
CID 122168918
1-(difluoromethyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 122166773
N-[[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride
CID 126967623
1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 122167539
1-(difluoromethyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 122167634
N-[(2,3-difluorophenyl)methyl]-2,5-dimethylpyrazol-3-amine;hydrochloride
CID 126968043
1-(difluoromethyl)-N-[(1,4-dimethylpyrazol-5-yl)methyl]pyrazol-3-amine;hydrochloride
CID 126964188
3-[[(1-ethylpyrazol-3-yl)amino]methyl]-2-fluorobenzonitrile
CID 114252043
1-(2,3-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-3-yl]methyl]methanamine
CID 122168274
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(difluoromethyl)pyrazol-3-amine;hydrochloride
CID 126966683
1-(2,3-difluorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-2-amine
CID 104996017
2-(2,3-difluorophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200891

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(2,3-difluorophenyl)methyl]pyrazol-3-amine;hydrochloride?
The IUPAC name of 1-(difluoromethyl)-N-[(2,3-difluorophenyl)methyl]pyrazol-3-amine;hydrochloride (CID 126966418) is 1-(difluoromethyl)-N-[(2,3-difluorophenyl)methyl]pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 1-(difluoromethyl)-N-[(2,3-difluorophenyl)methyl]pyrazol-3-amine;hydrochloride?
The canonical SMILES for 1-(difluoromethyl)-N-[(2,3-difluorophenyl)methyl]pyrazol-3-amine;hydrochloride is Cl.Fc1cccc(CNc2ccn(C(F)F)n2)c1F.
What is the InChIKey of 1-(difluoromethyl)-N-[(2,3-difluorophenyl)methyl]pyrazol-3-amine;hydrochloride?
The InChIKey is SSEYIBDZZKBBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4N3.ClH/c12-8-3-1-2-7(10(8)13)6-16-9-4-5-18(17-9)11(14)15;/h1-5,11H,6H2,(H,16,17);1H.
What are the key properties of 1-(difluoromethyl)-N-[(2,3-difluorophenyl)methyl]pyrazol-3-amine;hydrochloride?
1-(difluoromethyl)-N-[(2,3-difluorophenyl)methyl]pyrazol-3-amine;hydrochloride has a molecular weight of 295.67 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[(2,3-difluorophenyl)methyl]pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 126966418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).