[1-(2,2-difluoroethyl)pyrazol-4-yl]methanamine;hydrochloride

C6H10ClF2N3 — CID 90486265

IUPAC[1-(2,2-difluoroethyl)pyrazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cnn(CC(F)F)c1
InChIInChI=1S/C6H9F2N3.ClH/c7-6(8)4-11-3-5(1-9)2-10-11;/h2-3,6H,1,4,9H2;1H
InChIKeyWJZZEWMWFKYRLG-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.03
Rot. Bonds3

About [1-(2,2-difluoroethyl)pyrazol-4-yl]methanamine;hydrochloride

[1-(2,2-difluoroethyl)pyrazol-4-yl]methanamine;hydrochloride (PubChem CID 90486265) has the molecular formula C6H10ClF2N3 and a molecular weight of 197.62 g/mol. Its IUPAC name is [1-(2,2-difluoroethyl)pyrazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(2,2-difluoroethyl)pyrazol-4-yl]methanamine;hydrochloride
PubChem CID90486265
Molecular FormulaC6H10ClF2N3
Molecular Weight197.62 g/mol
Exact Mass197.05
IUPAC Name[1-(2,2-difluoroethyl)pyrazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cnn(CC(F)F)c1
InChIInChI=1S/C6H9F2N3.ClH/c7-6(8)4-11-3-5(1-9)2-10-11;/h2-3,6H,1,4,9H2;1H
InChIKeyWJZZEWMWFKYRLG-UHFFFAOYSA-N
XLogP1.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dimethylpyrazole
CID 136836
(1-ethyl-1H-pyrazol-4-yl)methanamine
CID 580103
(1-methyl-1H-pyrazol-4-yl)methanamine
CID 671225
((1-ethyl-1H-pyrazol-4-yl)methyl)(methyl)amine
CID 672401
N-methyl-1-(1-methyl-1H-pyrazol-4-yl)methanamine
CID 565445
ethyl[(1-ethyl-1H-pyrazol-4-yl)methyl]amine
CID 16394860
3-(4-methyl-1H-pyrazol-1-yl)propan-1-amine
CID 4715092
4-(chloromethyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 17854535
2-(4-Methyl-1H-pyrazol-1-yl)ethan-1-amine
CID 19616598
[(1-methyl-1H-pyrazol-4-yl)methyl](2-methylpropyl)amine
CID 42281904
2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 43124155
4-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 45602148

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethyl)pyrazol-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-(2,2-difluoroethyl)pyrazol-4-yl]methanamine;hydrochloride (CID 90486265) is [1-(2,2-difluoroethyl)pyrazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(2,2-difluoroethyl)pyrazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(2,2-difluoroethyl)pyrazol-4-yl]methanamine;hydrochloride is Cl.NCc1cnn(CC(F)F)c1.
What is the InChIKey of [1-(2,2-difluoroethyl)pyrazol-4-yl]methanamine;hydrochloride?
The InChIKey is WJZZEWMWFKYRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3.ClH/c7-6(8)4-11-3-5(1-9)2-10-11;/h2-3,6H,1,4,9H2;1H.
What are the key properties of [1-(2,2-difluoroethyl)pyrazol-4-yl]methanamine;hydrochloride?
[1-(2,2-difluoroethyl)pyrazol-4-yl]methanamine;hydrochloride has a molecular weight of 197.62 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethyl)pyrazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 90486265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).