[4-(3,5-diethylpyrazol-1-yl)-3,5-difluorophenyl]methanamine

C14H17F2N3 — CID 82692085

IUPAC[4-(3,5-diethylpyrazol-1-yl)-3,5-difluorophenyl]methanamine
SMILESCCc1cc(CC)n(-c2c(F)cc(CN)cc2F)n1
InChIInChI=1S/C14H17F2N3/c1-3-10-7-11(4-2)19(18-10)14-12(15)5-9(8-17)6-13(14)16/h5-7H,3-4,8,17H2,1-2H3
InChIKeyBDDUYSBTBQNIPO-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.73
Rot. Bonds4

About [4-(3,5-diethylpyrazol-1-yl)-3,5-difluorophenyl]methanamine

[4-(3,5-diethylpyrazol-1-yl)-3,5-difluorophenyl]methanamine (PubChem CID 82692085) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is [4-(3,5-diethylpyrazol-1-yl)-3,5-difluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(3,5-diethylpyrazol-1-yl)-3,5-difluorophenyl]methanamine
PubChem CID82692085
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name[4-(3,5-diethylpyrazol-1-yl)-3,5-difluorophenyl]methanamine
SMILESCCc1cc(CC)n(-c2c(F)cc(CN)cc2F)n1
InChIInChI=1S/C14H17F2N3/c1-3-10-7-11(4-2)19(18-10)14-12(15)5-9(8-17)6-13(14)16/h5-7H,3-4,8,17H2,1-2H3
InChIKeyBDDUYSBTBQNIPO-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3,5-diethylpyrazol-1-yl)-3,5-difluorophenyl]methanamine?
The IUPAC name of [4-(3,5-diethylpyrazol-1-yl)-3,5-difluorophenyl]methanamine (CID 82692085) is [4-(3,5-diethylpyrazol-1-yl)-3,5-difluorophenyl]methanamine.
What is the SMILES notation for [4-(3,5-diethylpyrazol-1-yl)-3,5-difluorophenyl]methanamine?
The canonical SMILES for [4-(3,5-diethylpyrazol-1-yl)-3,5-difluorophenyl]methanamine is CCc1cc(CC)n(-c2c(F)cc(CN)cc2F)n1.
What is the InChIKey of [4-(3,5-diethylpyrazol-1-yl)-3,5-difluorophenyl]methanamine?
The InChIKey is BDDUYSBTBQNIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-3-10-7-11(4-2)19(18-10)14-12(15)5-9(8-17)6-13(14)16/h5-7H,3-4,8,17H2,1-2H3.
What are the key properties of [4-(3,5-diethylpyrazol-1-yl)-3,5-difluorophenyl]methanamine?
[4-(3,5-diethylpyrazol-1-yl)-3,5-difluorophenyl]methanamine has a molecular weight of 265.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-diethylpyrazol-1-yl)-3,5-difluorophenyl]methanamine is sourced from PubChem (CID 82692085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).