N-(3-naphthalen-1-ylprop-1-en-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-amine

C20H17N3S — CID 70226897

IUPACN-(3-naphthalen-1-ylprop-1-en-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-amine
SMILESC=C(Cc1cccc2ccccc12)Nc1ccsc1-c1ccn[nH]1
InChIInChI=1S/C20H17N3S/c1-14(13-16-7-4-6-15-5-2-3-8-17(15)16)22-18-10-12-24-20(18)19-9-11-21-23-19/h2-12,22H,1,13H2,(H,21,23)
InChIKeyZSEFDZZPZFALBM-UHFFFAOYSA-N
MW331.44 g/mol
LogP5.46
Rot. Bonds5

About N-(3-naphthalen-1-ylprop-1-en-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-amine

N-(3-naphthalen-1-ylprop-1-en-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-amine (PubChem CID 70226897) has the molecular formula C20H17N3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylprop-1-en-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-amine.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylprop-1-en-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-amine
PubChem CID70226897
Molecular FormulaC20H17N3S
Molecular Weight331.44 g/mol
Exact Mass331.11
IUPAC NameN-(3-naphthalen-1-ylprop-1-en-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-amine
SMILESC=C(Cc1cccc2ccccc12)Nc1ccsc1-c1ccn[nH]1
InChIInChI=1S/C20H17N3S/c1-14(13-16-7-4-6-15-5-2-3-8-17(15)16)22-18-10-12-24-20(18)19-9-11-21-23-19/h2-12,22H,1,13H2,(H,21,23)
InChIKeyZSEFDZZPZFALBM-UHFFFAOYSA-N
XLogP5.46
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.44
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-1-yl-N-[2-(1,3,4-oxadiazol-2-yl)thiophen-3-yl]acetamide
CID 46869071
N-(2-iodothiophen-3-yl)-2-naphthalen-1-ylacetamide
CID 68754386
5-naphthalen-1-yl-1H-pyrazole
CID 174464397
5-naphthalen-1-yl-1H-pyrazole
CID 2737035
N-(4-ethyl-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide
CID 115680720
N-[2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]thiophen-3-yl]-2-isoquinolin-5-ylacetamide
CID 89446906
N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine
CID 4711877
N-(1-benzothiophen-5-yl)-2-naphthalen-1-ylacetamide
CID 23791200
N-(4-cyano-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide
CID 78914172
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2-naphthalen-1-ylacetamide
CID 90546719
methyl 4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazole-5-carboxylate
CID 52941226
4-methyl-2-phenyl-5-(1H-pyrazol-5-yl)-1,3-thiazole
CID 1480004

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylprop-1-en-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-amine?
The IUPAC name of N-(3-naphthalen-1-ylprop-1-en-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-amine (CID 70226897) is N-(3-naphthalen-1-ylprop-1-en-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-amine.
What is the SMILES notation for N-(3-naphthalen-1-ylprop-1-en-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-amine?
The canonical SMILES for N-(3-naphthalen-1-ylprop-1-en-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-amine is C=C(Cc1cccc2ccccc12)Nc1ccsc1-c1ccn[nH]1.
What is the InChIKey of N-(3-naphthalen-1-ylprop-1-en-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-amine?
The InChIKey is ZSEFDZZPZFALBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3S/c1-14(13-16-7-4-6-15-5-2-3-8-17(15)16)22-18-10-12-24-20(18)19-9-11-21-23-19/h2-12,22H,1,13H2,(H,21,23).
What are the key properties of N-(3-naphthalen-1-ylprop-1-en-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-amine?
N-(3-naphthalen-1-ylprop-1-en-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-amine has a molecular weight of 331.44 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-1-ylprop-1-en-2-yl)-2-(1H-pyrazol-5-yl)thiophen-3-amine is sourced from PubChem (CID 70226897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).