1-[3,5-diethyl-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine

C16H22FN3 — CID 82697339

IUPAC1-[3,5-diethyl-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
SMILESCCc1nn(Cc2ccc(F)cc2)c(CC)c1CNC
InChIInChI=1S/C16H22FN3/c1-4-15-14(10-18-3)16(5-2)20(19-15)11-12-6-8-13(17)9-7-12/h6-9,18H,4-5,10-11H2,1-3H3
InChIKeyIPBSFYBENFTFPC-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.91
Rot. Bonds6

About 1-[3,5-diethyl-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine

1-[3,5-diethyl-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine (PubChem CID 82697339) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3,5-diethyl-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
PubChem CID82697339
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name1-[3,5-diethyl-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
SMILESCCc1nn(Cc2ccc(F)cc2)c(CC)c1CNC
InChIInChI=1S/C16H22FN3/c1-4-15-14(10-18-3)16(5-2)20(19-15)11-12-6-8-13(17)9-7-12/h6-9,18H,4-5,10-11H2,1-3H3
InChIKeyIPBSFYBENFTFPC-UHFFFAOYSA-N
XLogP2.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3,5-diethyl-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine (CID 82697339) is 1-[3,5-diethyl-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3,5-diethyl-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3,5-diethyl-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine is CCc1nn(Cc2ccc(F)cc2)c(CC)c1CNC.
What is the InChIKey of 1-[3,5-diethyl-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is IPBSFYBENFTFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-4-15-14(10-18-3)16(5-2)20(19-15)11-12-6-8-13(17)9-7-12/h6-9,18H,4-5,10-11H2,1-3H3.
What are the key properties of 1-[3,5-diethyl-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine?
1-[3,5-diethyl-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 275.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-diethyl-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 82697339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).