N-[[1-(3,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]ethanamine

C16H23N3 — CID 66440506

IUPACN-[[1-(3,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(-c2cc(C)cc(C)c2)c1CC
InChIInChI=1S/C16H23N3/c1-5-16-14(10-17-6-2)11-18-19(16)15-8-12(3)7-13(4)9-15/h7-9,11,17H,5-6,10H2,1-4H3
InChIKeyZIPSYFZHVKNDDV-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.16
Rot. Bonds5

About N-[[1-(3,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]ethanamine

N-[[1-(3,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]ethanamine (PubChem CID 66440506) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[[1-(3,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]ethanamine
PubChem CID66440506
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[[1-(3,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(-c2cc(C)cc(C)c2)c1CC
InChIInChI=1S/C16H23N3/c1-5-16-14(10-17-6-2)11-18-19(16)15-8-12(3)7-13(4)9-15/h7-9,11,17H,5-6,10H2,1-4H3
InChIKeyZIPSYFZHVKNDDV-UHFFFAOYSA-N
XLogP3.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66441481
N-[[1-(3,5-dimethylphenyl)-3,5-diethylpyrazol-4-yl]methyl]ethanamine
CID 107431063
N-[(1-phenyl-5-propylpyrazol-4-yl)methyl]ethanamine
CID 66440844
N-[[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 54982022
N-[[1-(3-chloro-4-methylphenyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine
CID 66441050
N-[[5-ethyl-1-(2-methoxyphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66441179
N-[[1-(4-methylphenyl)-5-propylpyrazol-4-yl]methyl]propan-1-amine
CID 66439641
N-[[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66440879
4-(bromomethyl)-5-ethyl-1-(3-methylphenyl)pyrazole
CID 66436392
1-[1-(3,4-dichlorophenyl)-5-ethylpyrazol-4-yl]-N-methylmethanamine
CID 66441666
N-[[5-(difluoromethyl)-1-(2,4-dimethylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66441107
[5-ethyl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol
CID 79200351

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]ethanamine (CID 66440506) is N-[[1-(3,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]ethanamine is CCNCc1cnn(-c2cc(C)cc(C)c2)c1CC.
What is the InChIKey of N-[[1-(3,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]ethanamine?
The InChIKey is ZIPSYFZHVKNDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-5-16-14(10-17-6-2)11-18-19(16)15-8-12(3)7-13(4)9-15/h7-9,11,17H,5-6,10H2,1-4H3.
What are the key properties of N-[[1-(3,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]ethanamine?
N-[[1-(3,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]ethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66440506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).