N-methyl-1-(2-propylpyrazol-3-yl)-4-thiophen-2-ylbutan-1-amine

C15H23N3S — CID 105148145

IUPACN-methyl-1-(2-propylpyrazol-3-yl)-4-thiophen-2-ylbutan-1-amine
SMILESCCCn1nccc1C(CCCc1cccs1)NC
InChIInChI=1S/C15H23N3S/c1-3-11-18-15(9-10-17-18)14(16-2)8-4-6-13-7-5-12-19-13/h5,7,9-10,12,14,16H,3-4,6,8,11H2,1-2H3
InChIKeyJDKGGHSHKCIXRO-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.64
Rot. Bonds8

About N-methyl-1-(2-propylpyrazol-3-yl)-4-thiophen-2-ylbutan-1-amine

N-methyl-1-(2-propylpyrazol-3-yl)-4-thiophen-2-ylbutan-1-amine (PubChem CID 105148145) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is N-methyl-1-(2-propylpyrazol-3-yl)-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-propylpyrazol-3-yl)-4-thiophen-2-ylbutan-1-amine
PubChem CID105148145
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC NameN-methyl-1-(2-propylpyrazol-3-yl)-4-thiophen-2-ylbutan-1-amine
SMILESCCCn1nccc1C(CCCc1cccs1)NC
InChIInChI=1S/C15H23N3S/c1-3-11-18-15(9-10-17-18)14(16-2)8-4-6-13-7-5-12-19-13/h5,7,9-10,12,14,16H,3-4,6,8,11H2,1-2H3
InChIKeyJDKGGHSHKCIXRO-UHFFFAOYSA-N
XLogP3.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(2-propylpyrazol-3-yl)-4-thiophen-2-ylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-3-phenyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975742
N-methyl-1-(2-propylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 105148151
N-methyl-3-(3-methylphenyl)-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 105148148
1-(2-ethylpyrazol-3-yl)-N-methylhexan-1-amine
CID 115858222
N-methyl-1-(2-propylpyrazol-3-yl)-2-pyridin-4-ylethanamine
CID 63974700
N-ethyl-1-(2-propylpyrazol-3-yl)pentan-1-amine
CID 79405561
1-(furan-3-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105146730
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-thiophen-2-ylethanamine
CID 114649430
1-(furan-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105146981
2-ethylsulfanyl-N-methyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 65128079
1-(3-methoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105178716
2-propyl-N-(3-thiophen-2-ylpropyl)pyrazole-3-carboxamide
CID 171132785

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propylpyrazol-3-yl)-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of N-methyl-1-(2-propylpyrazol-3-yl)-4-thiophen-2-ylbutan-1-amine (CID 105148145) is N-methyl-1-(2-propylpyrazol-3-yl)-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for N-methyl-1-(2-propylpyrazol-3-yl)-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for N-methyl-1-(2-propylpyrazol-3-yl)-4-thiophen-2-ylbutan-1-amine is CCCn1nccc1C(CCCc1cccs1)NC.
What is the InChIKey of N-methyl-1-(2-propylpyrazol-3-yl)-4-thiophen-2-ylbutan-1-amine?
The InChIKey is JDKGGHSHKCIXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-3-11-18-15(9-10-17-18)14(16-2)8-4-6-13-7-5-12-19-13/h5,7,9-10,12,14,16H,3-4,6,8,11H2,1-2H3.
What are the key properties of N-methyl-1-(2-propylpyrazol-3-yl)-4-thiophen-2-ylbutan-1-amine?
N-methyl-1-(2-propylpyrazol-3-yl)-4-thiophen-2-ylbutan-1-amine has a molecular weight of 277.44 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-propylpyrazol-3-yl)-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 105148145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).