3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazol-4-amine

C16H23N3 — CID 103932600

IUPAC3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazol-4-amine
SMILESCCCC(Nc1cn(C)nc1CC)c1ccccc1
InChIInChI=1S/C16H23N3/c1-4-9-15(13-10-7-6-8-11-13)17-16-12-19(3)18-14(16)5-2/h6-8,10-12,15,17H,4-5,9H2,1-3H3
InChIKeyLRDNUKOALDESEW-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.94
Rot. Bonds6

About 3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazol-4-amine

3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazol-4-amine (PubChem CID 103932600) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazol-4-amine
PubChem CID103932600
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazol-4-amine
SMILESCCCC(Nc1cn(C)nc1CC)c1ccccc1
InChIInChI=1S/C16H23N3/c1-4-9-15(13-10-7-6-8-11-13)17-16-12-19(3)18-14(16)5-2/h6-8,10-12,15,17H,4-5,9H2,1-3H3
InChIKeyLRDNUKOALDESEW-UHFFFAOYSA-N
XLogP3.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-methyl-N-(1-phenyl-3-pyridin-3-ylpropyl)pyrazol-4-amine
CID 166253681
3-ethyl-1-methyl-N-(1-thiophen-3-ylbutyl)pyrazol-4-amine
CID 167861816
N-[4-(4-bromophenyl)-1-phenylbutyl]-3-ethyl-1-methylpyrazol-4-amine
CID 166383116
3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide
CID 166195891
3-ethyl-1-methyl-N-pentan-2-ylpyrazol-4-amine
CID 115923160
3-ethyl-N-[1-(3-fluorophenyl)propyl]-1-methylpyrazol-4-amine
CID 102613275
3-ethyl-N-[1-(4-methoxyphenyl)propyl]-1-methylpyrazol-4-amine
CID 103932474
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 102811930
3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine
CID 115923197
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide
CID 107463077
N-[2-(1,4-dimethylpyrazol-3-yl)ethyl]-1-(4-phenoxyphenyl)butan-1-amine
CID 166338655
N-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 107462393

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazol-4-amine (CID 103932600) is 3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazol-4-amine is CCCC(Nc1cn(C)nc1CC)c1ccccc1.
What is the InChIKey of 3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazol-4-amine?
The InChIKey is LRDNUKOALDESEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-9-15(13-10-7-6-8-11-13)17-16-12-19(3)18-14(16)5-2/h6-8,10-12,15,17H,4-5,9H2,1-3H3.
What are the key properties of 3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazol-4-amine?
3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazol-4-amine has a molecular weight of 257.38 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazol-4-amine is sourced from PubChem (CID 103932600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).