5-(1-benzothiophen-3-yl)-N-cyclopropyl-1H-pyrazol-3-amine

C14H13N3S — CID 116827364

IUPAC5-(1-benzothiophen-3-yl)-N-cyclopropyl-1H-pyrazol-3-amine
SMILESc1ccc2c(-c3cc(NC4CC4)n[nH]3)csc2c1
InChIInChI=1S/C14H13N3S/c1-2-4-13-10(3-1)11(8-18-13)12-7-14(17-16-12)15-9-5-6-9/h1-4,7-9H,5-6H2,(H2,15,16,17)
InChIKeyGVSHATJGHKRJEH-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.87
Rot. Bonds3

About 5-(1-benzothiophen-3-yl)-N-cyclopropyl-1H-pyrazol-3-amine

5-(1-benzothiophen-3-yl)-N-cyclopropyl-1H-pyrazol-3-amine (PubChem CID 116827364) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 5-(1-benzothiophen-3-yl)-N-cyclopropyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(1-benzothiophen-3-yl)-N-cyclopropyl-1H-pyrazol-3-amine
PubChem CID116827364
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name5-(1-benzothiophen-3-yl)-N-cyclopropyl-1H-pyrazol-3-amine
SMILESc1ccc2c(-c3cc(NC4CC4)n[nH]3)csc2c1
InChIInChI=1S/C14H13N3S/c1-2-4-13-10(3-1)11(8-18-13)12-7-14(17-16-12)15-9-5-6-9/h1-4,7-9H,5-6H2,(H2,15,16,17)
InChIKeyGVSHATJGHKRJEH-UHFFFAOYSA-N
XLogP3.87
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-5-(2-fluorophenyl)-1H-pyrazol-3-amine
CID 63049345
N-[[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]methyl]cyclopropanamine
CID 116877405
N-cyclopropyl-5-thiophen-3-yl-1H-pyrazol-3-amine
CID 63048501
8-(1-benzothiophen-3-yl)-N-cyclopropyl-7H-purin-6-amine
CID 117084401
5-(5-bromothiophen-2-yl)-N-cyclopropyl-1H-pyrazol-3-amine
CID 63049348
3-(1-benzothiophen-3-yl)-5-propan-2-yl-1H-pyrazole
CID 142092132
N-cyclopropyl-5-(3-fluorophenyl)-1H-pyrazol-3-amine
CID 63048660
2-(1-benzothiophen-3-yl)-N-(1-benzylpiperidin-4-yl)pyrimidin-4-amine
CID 117091888
2-(1-benzothiophen-3-yl)-N-cyclopropyl-9-propan-2-ylpurin-6-amine
CID 117079072
N-cyclopropyl-5-(2-methoxy-3,5-dimethylphenyl)-1H-pyrazol-3-amine
CID 116827337
5-(1-benzothiophen-3-yl)-2-bromo-1H-imidazole
CID 116884338
2-(1-benzothiophen-3-yl)-N-(1-benzylpiperidin-4-yl)-6-methylpyrimidin-4-amine
CID 117084596

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-3-yl)-N-cyclopropyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(1-benzothiophen-3-yl)-N-cyclopropyl-1H-pyrazol-3-amine (CID 116827364) is 5-(1-benzothiophen-3-yl)-N-cyclopropyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(1-benzothiophen-3-yl)-N-cyclopropyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(1-benzothiophen-3-yl)-N-cyclopropyl-1H-pyrazol-3-amine is c1ccc2c(-c3cc(NC4CC4)n[nH]3)csc2c1.
What is the InChIKey of 5-(1-benzothiophen-3-yl)-N-cyclopropyl-1H-pyrazol-3-amine?
The InChIKey is GVSHATJGHKRJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-2-4-13-10(3-1)11(8-18-13)12-7-14(17-16-12)15-9-5-6-9/h1-4,7-9H,5-6H2,(H2,15,16,17).
What are the key properties of 5-(1-benzothiophen-3-yl)-N-cyclopropyl-1H-pyrazol-3-amine?
5-(1-benzothiophen-3-yl)-N-cyclopropyl-1H-pyrazol-3-amine has a molecular weight of 255.35 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-3-yl)-N-cyclopropyl-1H-pyrazol-3-amine is sourced from PubChem (CID 116827364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).