3-ethyl-1-methyl-N-(1-thiophen-3-ylbutyl)pyrazol-4-amine

C14H21N3S — CID 167861816

IUPAC3-ethyl-1-methyl-N-(1-thiophen-3-ylbutyl)pyrazol-4-amine
SMILESCCCC(Nc1cn(C)nc1CC)c1ccsc1
InChIInChI=1S/C14H21N3S/c1-4-6-13(11-7-8-18-10-11)15-14-9-17(3)16-12(14)5-2/h7-10,13,15H,4-6H2,1-3H3
InChIKeyMZUJGKUJQNWUKJ-UHFFFAOYSA-N
MW263.41 g/mol
LogP4.00
Rot. Bonds6

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

3-ethyl-1-methyl-N-(1-thiophen-3-ylbutyl)pyrazol-4-amine (PubChem CID 167861816) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-(1-thiophen-3-ylbutyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-(1-thiophen-3-ylbutyl)pyrazol-4-amine
PubChem CID167861816
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name3-ethyl-1-methyl-N-(1-thiophen-3-ylbutyl)pyrazol-4-amine
SMILESCCCC(Nc1cn(C)nc1CC)c1ccsc1
InChIInChI=1S/C14H21N3S/c1-4-6-13(11-7-8-18-10-11)15-14-9-17(3)16-12(14)5-2/h7-10,13,15H,4-6H2,1-3H3
InChIKeyMZUJGKUJQNWUKJ-UHFFFAOYSA-N
XLogP4.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazol-4-amine
CID 103932600
3-ethyl-1-methyl-N-pentan-2-ylpyrazol-4-amine
CID 115923160
3-ethyl-N-[1-(4-methoxyphenyl)propyl]-1-methylpyrazol-4-amine
CID 103932474
3-ethyl-1-methyl-N-(1-thiophen-2-ylethyl)pyrazol-4-amine
CID 115923197
3-ethyl-1-methyl-N-(1-phenyl-3-pyridin-3-ylpropyl)pyrazol-4-amine
CID 166253681
3-ethyl-N-[1-(3-fluorophenyl)propyl]-1-methylpyrazol-4-amine
CID 102613275
N-[4-(4-bromophenyl)-1-phenylbutyl]-3-ethyl-1-methylpyrazol-4-amine
CID 166383116
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-thiophen-3-ylethanamine
CID 102812215
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 102811930
ethyl 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
CID 104700571
3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine
CID 115923153
3-ethyl-1-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine
CID 115923177

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-(1-thiophen-3-ylbutyl)pyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-N-(1-thiophen-3-ylbutyl)pyrazol-4-amine (CID 167861816) is 3-ethyl-1-methyl-N-(1-thiophen-3-ylbutyl)pyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-N-(1-thiophen-3-ylbutyl)pyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-N-(1-thiophen-3-ylbutyl)pyrazol-4-amine is CCCC(Nc1cn(C)nc1CC)c1ccsc1.
What is the InChIKey of 3-ethyl-1-methyl-N-(1-thiophen-3-ylbutyl)pyrazol-4-amine?
The InChIKey is MZUJGKUJQNWUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-4-6-13(11-7-8-18-10-11)15-14-9-17(3)16-12(14)5-2/h7-10,13,15H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-1-methyl-N-(1-thiophen-3-ylbutyl)pyrazol-4-amine?
3-ethyl-1-methyl-N-(1-thiophen-3-ylbutyl)pyrazol-4-amine has a molecular weight of 263.41 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-(1-thiophen-3-ylbutyl)pyrazol-4-amine is sourced from PubChem (CID 167861816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).