N-[(1-phenylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine

C16H17N3S — CID 43492518

IUPACN-[(1-phenylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1cnn(-c2ccccc2)c1)c1cccs1
InChIInChI=1S/C16H17N3S/c1-2-17-16(15-9-6-10-20-15)13-11-18-19(12-13)14-7-4-3-5-8-14/h3-12,16-17H,2H2,1H3
InChIKeyLDMGWAZCBTXBID-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.63
Rot. Bonds5

About N-[(1-phenylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine

N-[(1-phenylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine (PubChem CID 43492518) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[(1-phenylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(1-phenylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine
PubChem CID43492518
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-[(1-phenylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1cnn(-c2ccccc2)c1)c1cccs1
InChIInChI=1S/C16H17N3S/c1-2-17-16(15-9-6-10-20-15)13-11-18-19(12-13)14-7-4-3-5-8-14/h3-12,16-17H,2H2,1H3
InChIKeyLDMGWAZCBTXBID-UHFFFAOYSA-N
XLogP3.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-phenylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine 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-[(1-phenylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 61332623
N-ethyl-1-(1-phenylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 105169186
N-ethyl-2-methyl-1-(1-phenylpyrazol-4-yl)butan-1-amine
CID 43492532
N-ethyl-2-methoxy-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105165630
N-methyl-1-(3-methylthiophen-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 43485986
1-(1-phenylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65379955
2-(1-phenylpyrazol-4-yl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 61005442
N-ethyl-4-methoxy-1-(1-phenylpyrazol-4-yl)butan-1-amine
CID 105190222
2-cyclobutyl-N-ethyl-1-(1-phenylpyrazol-4-yl)ethanamine
CID 105151678
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
1-(furan-2-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43485984
1-(5-bromothiophen-3-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 107960678

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine?
The IUPAC name of N-[(1-phenylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine (CID 43492518) is N-[(1-phenylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(1-phenylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(1-phenylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine is CCNC(c1cnn(-c2ccccc2)c1)c1cccs1.
What is the InChIKey of N-[(1-phenylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine?
The InChIKey is LDMGWAZCBTXBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-2-17-16(15-9-6-10-20-15)13-11-18-19(12-13)14-7-4-3-5-8-14/h3-12,16-17H,2H2,1H3.
What are the key properties of N-[(1-phenylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine?
N-[(1-phenylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine has a molecular weight of 283.40 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrazol-4-yl)-thiophen-2-ylmethyl]ethanamine is sourced from PubChem (CID 43492518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).