[3,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methanamine

C16H22FN3 — CID 105375116

IUPAC[3,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methanamine
SMILESCCc1nn(Cc2cc(F)ccc2C)c(CC)c1CN
InChIInChI=1S/C16H22FN3/c1-4-15-14(9-18)16(5-2)20(19-15)10-12-8-13(17)7-6-11(12)3/h6-8H,4-5,9-10,18H2,1-3H3
InChIKeyKHHGBZJPNWSAOJ-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.96
Rot. Bonds5

About [3,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methanamine

[3,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methanamine (PubChem CID 105375116) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is [3,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methanamine
PubChem CID105375116
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name[3,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methanamine
SMILESCCc1nn(Cc2cc(F)ccc2C)c(CC)c1CN
InChIInChI=1S/C16H22FN3/c1-4-15-14(9-18)16(5-2)20(19-15)10-12-8-13(17)7-6-11(12)3/h6-8H,4-5,9-10,18H2,1-3H3
InChIKeyKHHGBZJPNWSAOJ-UHFFFAOYSA-N
XLogP2.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methanamine?
The IUPAC name of [3,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methanamine (CID 105375116) is [3,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methanamine.
What is the SMILES notation for [3,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methanamine?
The canonical SMILES for [3,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methanamine is CCc1nn(Cc2cc(F)ccc2C)c(CC)c1CN.
What is the InChIKey of [3,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methanamine?
The InChIKey is KHHGBZJPNWSAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-4-15-14(9-18)16(5-2)20(19-15)10-12-8-13(17)7-6-11(12)3/h6-8H,4-5,9-10,18H2,1-3H3.
What are the key properties of [3,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methanamine?
[3,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methanamine has a molecular weight of 275.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methanamine is sourced from PubChem (CID 105375116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).