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

C6H10ClF2N3 — CID 90486240

IUPAC1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCc1ccn(C(F)F)n1.Cl
InChIInChI=1S/C6H9F2N3.ClH/c1-9-4-5-2-3-11(10-5)6(7)8;/h2-3,6,9H,4H2,1H3;1H
InChIKeyKNLWHHNLCTXFRP-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.42
Rot. Bonds3

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

1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride (PubChem CID 90486240) has the molecular formula C6H10ClF2N3 and a molecular weight of 197.62 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride
PubChem CID90486240
Molecular FormulaC6H10ClF2N3
Molecular Weight197.62 g/mol
Exact Mass197.05
IUPAC Name1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride
SMILESCNCc1ccn(C(F)F)n1.Cl
InChIInChI=1S/C6H9F2N3.ClH/c1-9-4-5-2-3-11(10-5)6(7)8;/h2-3,6,9H,4H2,1H3;1H
InChIKeyKNLWHHNLCTXFRP-UHFFFAOYSA-N
XLogP1.42
TPSA29.85 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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Pyrazole, 1,3-dimethyl-
CID 79096
(1-Methyl-1H-pyrazol-5-yl)methanamine
CID 7019421
1,5-Dimethylpyrazole
CID 136502
1-Methyl-5-(trifluoromethyl)-1H-pyrazole
CID 15420922
1-Ethyl-N-methyl-1H-pyrazole-5-methanamine
CID 672403
3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]pentan-1-amine
CID 19616726
1,3-dimethyl-1H-pyrazol-4-amine hydrochloride
CID 12687197
1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine
CID 672402
1-Ethenyl-5-methyl-1h-pyrazole
CID 186634
1H-Pyrazole, 1-ethenyl-3-methyl-
CID 3016825
2-(5-Methyl-pyrazol-1-yl)-ethylamine
CID 3157298
3-(5-methyl-1H-pyrazol-1-yl)propan-1-amine
CID 4712135

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride (CID 90486240) is 1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride is CNCc1ccn(C(F)F)n1.Cl.
What is the InChIKey of 1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is KNLWHHNLCTXFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3.ClH/c1-9-4-5-2-3-11(10-5)6(7)8;/h2-3,6,9H,4H2,1H3;1H.
What are the key properties of 1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride?
1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 197.62 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)pyrazol-3-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 90486240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).