N-[(1-phenylpyrazol-3-yl)methyl]-1-thiophen-3-ylethanamine

C16H17N3S — CID 62884999

IUPACN-[(1-phenylpyrazol-3-yl)methyl]-1-thiophen-3-ylethanamine
SMILESCC(NCc1ccn(-c2ccccc2)n1)c1ccsc1
InChIInChI=1S/C16H17N3S/c1-13(14-8-10-20-12-14)17-11-15-7-9-19(18-15)16-5-3-2-4-6-16/h2-10,12-13,17H,11H2,1H3
InChIKeyRDGPTIGJCYFENP-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.78
Rot. Bonds5

About N-[(1-phenylpyrazol-3-yl)methyl]-1-thiophen-3-ylethanamine

N-[(1-phenylpyrazol-3-yl)methyl]-1-thiophen-3-ylethanamine (PubChem CID 62884999) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[(1-phenylpyrazol-3-yl)methyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(1-phenylpyrazol-3-yl)methyl]-1-thiophen-3-ylethanamine
PubChem CID62884999
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-[(1-phenylpyrazol-3-yl)methyl]-1-thiophen-3-ylethanamine
SMILESCC(NCc1ccn(-c2ccccc2)n1)c1ccsc1
InChIInChI=1S/C16H17N3S/c1-13(14-8-10-20-12-14)17-11-15-7-9-19(18-15)16-5-3-2-4-6-16/h2-10,12-13,17H,11H2,1H3
InChIKeyRDGPTIGJCYFENP-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-phenylpyrazol-3-yl)methyl]-1-thiophen-3-ylethanamine 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

1-(5-chlorothiophen-2-yl)-N-[(1-phenylpyrazol-3-yl)methyl]ethanamine
CID 62886376
(2S)-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid
CID 83194927
2-methyl-3-[(1-phenylpyrazol-3-yl)methylamino]butan-1-ol
CID 115897847
3-methyl-N-[(1-phenylpyrazol-3-yl)methyl]butan-1-amine
CID 62887084
3-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]butanamide
CID 103908798
N-[(1-phenylpyrazol-3-yl)methyl]pent-1-yn-3-amine
CID 106225141
N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62841853
(1S)-2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 97108873
N-[(1-methylpyrrol-3-yl)methyl]-1-thiophen-3-ylethanamine
CID 66397715
(1S)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-1-phenylethanamine
CID 79001167
N-(2-methoxyethyl)-1-thiophen-3-ylethanamine
CID 53274740
(2R)-2-methoxy-2-phenyl-N-[(1-phenylpyrazol-3-yl)methyl]acetamide
CID 100680507

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrazol-3-yl)methyl]-1-thiophen-3-ylethanamine?
The IUPAC name of N-[(1-phenylpyrazol-3-yl)methyl]-1-thiophen-3-ylethanamine (CID 62884999) is N-[(1-phenylpyrazol-3-yl)methyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(1-phenylpyrazol-3-yl)methyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for N-[(1-phenylpyrazol-3-yl)methyl]-1-thiophen-3-ylethanamine is CC(NCc1ccn(-c2ccccc2)n1)c1ccsc1.
What is the InChIKey of N-[(1-phenylpyrazol-3-yl)methyl]-1-thiophen-3-ylethanamine?
The InChIKey is RDGPTIGJCYFENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-13(14-8-10-20-12-14)17-11-15-7-9-19(18-15)16-5-3-2-4-6-16/h2-10,12-13,17H,11H2,1H3.
What are the key properties of N-[(1-phenylpyrazol-3-yl)methyl]-1-thiophen-3-ylethanamine?
N-[(1-phenylpyrazol-3-yl)methyl]-1-thiophen-3-ylethanamine has a molecular weight of 283.40 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrazol-3-yl)methyl]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 62884999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).