1-[5-(difluoromethyl)-1-ethylpyrazol-4-yl]-N-methylmethanamine

C8H13F2N3 — CID 66442333

IUPAC1-[5-(difluoromethyl)-1-ethylpyrazol-4-yl]-N-methylmethanamine
SMILESCCn1ncc(CNC)c1C(F)F
InChIInChI=1S/C8H13F2N3/c1-3-13-7(8(9)10)6(4-11-2)5-12-13/h5,8,11H,3-4H2,1-2H3
InChIKeyXSVQOQOFAYYWBK-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.56
Rot. Bonds4

About 1-[5-(difluoromethyl)-1-ethylpyrazol-4-yl]-N-methylmethanamine

1-[5-(difluoromethyl)-1-ethylpyrazol-4-yl]-N-methylmethanamine (PubChem CID 66442333) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-1-ethylpyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-1-ethylpyrazol-4-yl]-N-methylmethanamine
PubChem CID66442333
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name1-[5-(difluoromethyl)-1-ethylpyrazol-4-yl]-N-methylmethanamine
SMILESCCn1ncc(CNC)c1C(F)F
InChIInChI=1S/C8H13F2N3/c1-3-13-7(8(9)10)6(4-11-2)5-12-13/h5,8,11H,3-4H2,1-2H3
InChIKeyXSVQOQOFAYYWBK-UHFFFAOYSA-N
XLogP1.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-N-methylmethanamine
CID 66440093
N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66441934
N-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 66440323
N-[[5-(difluoromethyl)-1-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66439923
N-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 66440933
1-[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]-N-methylmethanamine
CID 66440074
1-[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine
CID 66442394
N-[[1-[(2-chlorophenyl)methyl]-5-(difluoromethyl)pyrazol-4-yl]methyl]ethanamine
CID 66442604
N-[[1-benzyl-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66440086
N-methyl-1-[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66441213
1-(1-butyl-5-ethylpyrazol-4-yl)-N-methylmethanamine
CID 66439934
4-(chloromethyl)-5-(difluoromethyl)-1-pentan-3-ylpyrazole
CID 66439255

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-1-ethylpyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(difluoromethyl)-1-ethylpyrazol-4-yl]-N-methylmethanamine (CID 66442333) is 1-[5-(difluoromethyl)-1-ethylpyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(difluoromethyl)-1-ethylpyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(difluoromethyl)-1-ethylpyrazol-4-yl]-N-methylmethanamine is CCn1ncc(CNC)c1C(F)F.
What is the InChIKey of 1-[5-(difluoromethyl)-1-ethylpyrazol-4-yl]-N-methylmethanamine?
The InChIKey is XSVQOQOFAYYWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3/c1-3-13-7(8(9)10)6(4-11-2)5-12-13/h5,8,11H,3-4H2,1-2H3.
What are the key properties of 1-[5-(difluoromethyl)-1-ethylpyrazol-4-yl]-N-methylmethanamine?
1-[5-(difluoromethyl)-1-ethylpyrazol-4-yl]-N-methylmethanamine has a molecular weight of 189.21 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-1-ethylpyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 66442333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).