1-[(2,3-difluorophenyl)methyl]-3,5-diethylpyrazol-4-amine

C14H17F2N3 — CID 82702759

IUPAC1-[(2,3-difluorophenyl)methyl]-3,5-diethylpyrazol-4-amine
SMILESCCc1nn(Cc2cccc(F)c2F)c(CC)c1N
InChIInChI=1S/C14H17F2N3/c1-3-11-14(17)12(4-2)19(18-11)8-9-6-5-7-10(15)13(9)16/h5-7H,3-4,8,17H2,1-2H3
InChIKeyLLDVIVHCFCHQCX-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.92
Rot. Bonds4

About 1-[(2,3-difluorophenyl)methyl]-3,5-diethylpyrazol-4-amine

1-[(2,3-difluorophenyl)methyl]-3,5-diethylpyrazol-4-amine (PubChem CID 82702759) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-3,5-diethylpyrazol-4-amine.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-3,5-diethylpyrazol-4-amine
PubChem CID82702759
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[(2,3-difluorophenyl)methyl]-3,5-diethylpyrazol-4-amine
SMILESCCc1nn(Cc2cccc(F)c2F)c(CC)c1N
InChIInChI=1S/C14H17F2N3/c1-3-11-14(17)12(4-2)19(18-11)8-9-6-5-7-10(15)13(9)16/h5-7H,3-4,8,17H2,1-2H3
InChIKeyLLDVIVHCFCHQCX-UHFFFAOYSA-N
XLogP2.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3,5-diethylpyrazol-4-amine
CID 82702837
[1-[(2-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 115984308
3-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]phenol
CID 82702929
1-[1-[(2-chloro-3-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanone
CID 115984290
3,5-diethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-amine
CID 112650329
1-[3,5-diethyl-1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 82697882
1-ethyl-2,3-difluorobenzene;methanamine
CID 143205868
[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine
CID 82697868
1-[(2,3-difluorophenyl)methyl]pyrazol-3-amine
CID 60783235
2-[1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
CID 63094942
1-[(2,3-difluorophenyl)methyl]-5-fluoro-6-methylpyrazolo[3,4-b]pyridin-3-amine
CID 141449115
3-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]-5-fluorobenzonitrile
CID 82702376

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3,5-diethylpyrazol-4-amine?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3,5-diethylpyrazol-4-amine (CID 82702759) is 1-[(2,3-difluorophenyl)methyl]-3,5-diethylpyrazol-4-amine.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-3,5-diethylpyrazol-4-amine?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-3,5-diethylpyrazol-4-amine is CCc1nn(Cc2cccc(F)c2F)c(CC)c1N.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-3,5-diethylpyrazol-4-amine?
The InChIKey is LLDVIVHCFCHQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-3-11-14(17)12(4-2)19(18-11)8-9-6-5-7-10(15)13(9)16/h5-7H,3-4,8,17H2,1-2H3.
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-3,5-diethylpyrazol-4-amine?
1-[(2,3-difluorophenyl)methyl]-3,5-diethylpyrazol-4-amine has a molecular weight of 265.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-3,5-diethylpyrazol-4-amine is sourced from PubChem (CID 82702759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).