N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine

C15H20FN3 — CID 4537188

IUPACN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C15H20FN3/c1-3-4-9-19(2)11-13-10-17-18-15(13)12-5-7-14(16)8-6-12/h5-8,10H,3-4,9,11H2,1-2H3,(H,17,18)
InChIKeyYNOJYXFPUUUDDY-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.45
Rot. Bonds6

About N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine (PubChem CID 4537188) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
PubChem CID4537188
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C15H20FN3/c1-3-4-9-19(2)11-13-10-17-18-15(13)12-5-7-14(16)8-6-12/h5-8,10H,3-4,9,11H2,1-2H3,(H,17,18)
InChIKeyYNOJYXFPUUUDDY-UHFFFAOYSA-N
XLogP3.45
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?
The IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine (CID 4537188) is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?
The InChIKey is YNOJYXFPUUUDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-3-4-9-19(2)11-13-10-17-18-15(13)12-5-7-14(16)8-6-12/h5-8,10H,3-4,9,11H2,1-2H3,(H,17,18).
What are the key properties of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine?
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine has a molecular weight of 261.34 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 4537188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).