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

C10H17F2N3 — CID 62731794

IUPAC1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cnn(CC(F)F)c1
InChIInChI=1S/C10H17F2N3/c1-3-9(13-4-2)8-5-14-15(6-8)7-10(11)12/h5-6,9-10,13H,3-4,7H2,1-2H3
InChIKeyBKIMDQRVGYCTQR-UHFFFAOYSA-N
MW217.26 g/mol
LogP2.21
Rot. Bonds6

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

1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-ethylpropan-1-amine (PubChem CID 62731794) has the molecular formula C10H17F2N3 and a molecular weight of 217.26 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-ethylpropan-1-amine
PubChem CID62731794
Molecular FormulaC10H17F2N3
Molecular Weight217.26 g/mol
Exact Mass217.14
IUPAC Name1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1cnn(CC(F)F)c1
InChIInChI=1S/C10H17F2N3/c1-3-9(13-4-2)8-5-14-15(6-8)7-10(11)12/h5-6,9-10,13H,3-4,7H2,1-2H3
InChIKeyBKIMDQRVGYCTQR-UHFFFAOYSA-N
XLogP2.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 62729791
N-ethyl-1-[1-(2-methylsulfonylethyl)pyrazol-4-yl]propan-1-amine
CID 62729799
1-[1-(2-ethoxyethyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62731441
1-[1-[(2,5-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62729800
1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62731796
N-ethyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-amine
CID 62729985
1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62729801
1-[1-(2-cyclopentylethyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 114192598
1-[1-(2-ethylbutyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 82929915
1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 55109411
N-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62730349
N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79405457

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-ethylpropan-1-amine (CID 62731794) is 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-ethylpropan-1-amine is CCNC(CC)c1cnn(CC(F)F)c1.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
The InChIKey is BKIMDQRVGYCTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3/c1-3-9(13-4-2)8-5-14-15(6-8)7-10(11)12/h5-6,9-10,13H,3-4,7H2,1-2H3.
What are the key properties of 1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-ethylpropan-1-amine has a molecular weight of 217.26 g/mol, XLogP of 2.21, 6 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-ethylpropan-1-amine is sourced from PubChem (CID 62731794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).