1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine

C9H15F2N3 — CID 62729791

IUPAC1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1cnn(CC(F)F)c1
InChIInChI=1S/C9H15F2N3/c1-3-8(12-2)7-4-13-14(5-7)6-9(10)11/h4-5,8-9,12H,3,6H2,1-2H3
InChIKeyIUWKUUHYHOQSEW-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.82
Rot. Bonds5

About 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine

1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine (PubChem CID 62729791) has the molecular formula C9H15F2N3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine
PubChem CID62729791
Molecular FormulaC9H15F2N3
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1cnn(CC(F)F)c1
InChIInChI=1S/C9H15F2N3/c1-3-8(12-2)7-4-13-14(5-7)6-9(10)11/h4-5,8-9,12H,3,6H2,1-2H3
InChIKeyIUWKUUHYHOQSEW-UHFFFAOYSA-N
XLogP1.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62731794
1-[1-(2-ethylbutyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 82929915
1-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 105408692
1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 103041249
N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine
CID 55109269
1-[1-(2-tert-butylsulfonylethyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 106730571
N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine
CID 62731616
N-methyl-1-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-amine
CID 82871677
1-(2,2-difluoroethyl)-4-methylpyrazole;ethane
CID 169136137
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanone
CID 62728179
1-(1-ethylpyrazol-4-yl)-N-methylhexan-1-amine
CID 115816258
N,3,3-trimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 63891510

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine (CID 62729791) is 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine is CCC(NC)c1cnn(CC(F)F)c1.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine?
The InChIKey is IUWKUUHYHOQSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3/c1-3-8(12-2)7-4-13-14(5-7)6-9(10)11/h4-5,8-9,12H,3,6H2,1-2H3.
What are the key properties of 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine?
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine has a molecular weight of 203.24 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 62729791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).