N-[(1-ethylpyrazol-4-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine

C14H21N3S — CID 115815713

IUPACN-[(1-ethylpyrazol-4-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(CC)c1)c1sccc1C
InChIInChI=1S/C14H21N3S/c1-4-7-15-13(14-11(3)6-8-18-14)12-9-16-17(5-2)10-12/h6,8-10,13,15H,4-5,7H2,1-3H3
InChIKeyXRSXTPWMWPDXJS-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.36
Rot. Bonds6

About N-[(1-ethylpyrazol-4-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine

N-[(1-ethylpyrazol-4-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 115815713) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
PubChem CID115815713
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-[(1-ethylpyrazol-4-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(CC)c1)c1sccc1C
InChIInChI=1S/C14H21N3S/c1-4-7-15-13(14-11(3)6-8-18-14)12-9-16-17(5-2)10-12/h6,8-10,13,15H,4-5,7H2,1-3H3
InChIKeyXRSXTPWMWPDXJS-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethylpyrazol-4-yl)-(3-methylthiophen-2-yl)methyl]propan-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-[(3-methylthiophen-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115807394
N-[(3-chloro-4-methylthiophen-2-yl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 103405377
N-[(1-ethylpyrazol-4-yl)-thieno[3,2-b]pyridin-6-ylmethyl]propan-1-amine
CID 81153035
N-[(4-bromo-3,5-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 114330849
N,N-dimethyl-4-[(3-methylthiophen-2-yl)-(propylamino)methyl]aniline
CID 105166487
N-[(3-methylthiophen-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495885
N-[(3-iodophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 63503327
N-[(1-ethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 115815758
N-[(1-ethylpyrazol-4-yl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 115816052
N-[(3-methylthiophen-2-yl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 79988912
N-[(2,6-difluorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 55006823
N-[(2,6-dichlorophenyl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 63503475

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine (CID 115815713) is N-[(1-ethylpyrazol-4-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine is CCCNC(c1cnn(CC)c1)c1sccc1C.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is XRSXTPWMWPDXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-4-7-15-13(14-11(3)6-8-18-14)12-9-16-17(5-2)10-12/h6,8-10,13,15H,4-5,7H2,1-3H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine?
N-[(1-ethylpyrazol-4-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 115815713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).