2-[1-(difluoromethyl)pyrazol-3-yl]-N-methylpropan-2-amine

C8H13F2N3 — CID 166163885

IUPAC2-[1-(difluoromethyl)pyrazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1ccn(C(F)F)n1
InChIInChI=1S/C8H13F2N3/c1-8(2,11-3)6-4-5-13(12-6)7(9)10/h4-5,7,11H,1-3H3
InChIKeyIMMDAGSWVXMRNF-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.73
Rot. Bonds3

About 2-[1-(difluoromethyl)pyrazol-3-yl]-N-methylpropan-2-amine

2-[1-(difluoromethyl)pyrazol-3-yl]-N-methylpropan-2-amine (PubChem CID 166163885) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)pyrazol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[1-(difluoromethyl)pyrazol-3-yl]-N-methylpropan-2-amine
PubChem CID166163885
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name2-[1-(difluoromethyl)pyrazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1ccn(C(F)F)n1
InChIInChI=1S/C8H13F2N3/c1-8(2,11-3)6-4-5-13(12-6)7(9)10/h4-5,7,11H,1-3H3
InChIKeyIMMDAGSWVXMRNF-UHFFFAOYSA-N
XLogP1.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(propan-2-yl)-1H-pyrazole
CID 12251378
1-Methyl-3-t-butylpyrazole
CID 145633
rac-(1R,2R)-2-(1-methyl-1H-pyrazol-3-yl)cyclopropan-1-amine dihydrochloride
CID 129841883
1-(1-Ethyl-1H-pyrazol-3-yl)ethan-1-amine
CID 17024749
1-(1-ethyl-1H-pyrazol-5-yl)ethan-1-amine
CID 19585894
alpha,1-Dimethyl-1H-pyrazole-3-methanamine
CID 19616543
1-(1-methyl-1H-pyrazol-5-yl)ethan-1-amine
CID 19616958
2-(1-methyl-1H-pyrazol-3-yl)ethan-1-amine
CID 49757585
3-(1-methyl-1H-pyrazol-5-yl)piperidine
CID 50989017
4-(1-methyl-1H-pyrazol-5-yl)piperidine
CID 50989018
3-(1-methyl-1H-pyrazol-5-yl)propan-1-amine
CID 55266680
2-(1-methyl-1H-pyrazol-5-yl)ethan-1-amine
CID 60136571

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)pyrazol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[1-(difluoromethyl)pyrazol-3-yl]-N-methylpropan-2-amine (CID 166163885) is 2-[1-(difluoromethyl)pyrazol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[1-(difluoromethyl)pyrazol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[1-(difluoromethyl)pyrazol-3-yl]-N-methylpropan-2-amine is CNC(C)(C)c1ccn(C(F)F)n1.
What is the InChIKey of 2-[1-(difluoromethyl)pyrazol-3-yl]-N-methylpropan-2-amine?
The InChIKey is IMMDAGSWVXMRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3/c1-8(2,11-3)6-4-5-13(12-6)7(9)10/h4-5,7,11H,1-3H3.
What are the key properties of 2-[1-(difluoromethyl)pyrazol-3-yl]-N-methylpropan-2-amine?
2-[1-(difluoromethyl)pyrazol-3-yl]-N-methylpropan-2-amine has a molecular weight of 189.21 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)pyrazol-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 166163885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).