N,5-diphenyl-4-thiophen-2-ylsulfanyl-1H-pyrazol-3-amine

C19H15N3S2 — CID 164667635

IUPACN,5-diphenyl-4-thiophen-2-ylsulfanyl-1H-pyrazol-3-amine
SMILESc1ccc(Nc2n[nH]c(-c3ccccc3)c2Sc2cccs2)cc1
InChIInChI=1S/C19H15N3S2/c1-3-8-14(9-4-1)17-18(24-16-12-7-13-23-16)19(22-21-17)20-15-10-5-2-6-11-15/h1-13H,(H2,20,21,22)
InChIKeyQYXDCBRNYWRCDU-UHFFFAOYSA-N
MW349.48 g/mol
LogP6.03
Rot. Bonds5

About N,5-diphenyl-4-thiophen-2-ylsulfanyl-1H-pyrazol-3-amine

N,5-diphenyl-4-thiophen-2-ylsulfanyl-1H-pyrazol-3-amine (PubChem CID 164667635) has the molecular formula C19H15N3S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N,5-diphenyl-4-thiophen-2-ylsulfanyl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN,5-diphenyl-4-thiophen-2-ylsulfanyl-1H-pyrazol-3-amine
PubChem CID164667635
Molecular FormulaC19H15N3S2
Molecular Weight349.48 g/mol
Exact Mass349.07
IUPAC NameN,5-diphenyl-4-thiophen-2-ylsulfanyl-1H-pyrazol-3-amine
SMILESc1ccc(Nc2n[nH]c(-c3ccccc3)c2Sc2cccs2)cc1
InChIInChI=1S/C19H15N3S2/c1-3-8-14(9-4-1)17-18(24-16-12-7-13-23-16)19(22-21-17)20-15-10-5-2-6-11-15/h1-13H,(H2,20,21,22)
InChIKeyQYXDCBRNYWRCDU-UHFFFAOYSA-N
XLogP6.03
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,5-diphenyl-4-thiophen-2-ylsulfanyl-1H-pyrazol-3-amine?
The IUPAC name of N,5-diphenyl-4-thiophen-2-ylsulfanyl-1H-pyrazol-3-amine (CID 164667635) is N,5-diphenyl-4-thiophen-2-ylsulfanyl-1H-pyrazol-3-amine.
What is the SMILES notation for N,5-diphenyl-4-thiophen-2-ylsulfanyl-1H-pyrazol-3-amine?
The canonical SMILES for N,5-diphenyl-4-thiophen-2-ylsulfanyl-1H-pyrazol-3-amine is c1ccc(Nc2n[nH]c(-c3ccccc3)c2Sc2cccs2)cc1.
What is the InChIKey of N,5-diphenyl-4-thiophen-2-ylsulfanyl-1H-pyrazol-3-amine?
The InChIKey is QYXDCBRNYWRCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3S2/c1-3-8-14(9-4-1)17-18(24-16-12-7-13-23-16)19(22-21-17)20-15-10-5-2-6-11-15/h1-13H,(H2,20,21,22).
What are the key properties of N,5-diphenyl-4-thiophen-2-ylsulfanyl-1H-pyrazol-3-amine?
N,5-diphenyl-4-thiophen-2-ylsulfanyl-1H-pyrazol-3-amine has a molecular weight of 349.48 g/mol, XLogP of 6.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diphenyl-4-thiophen-2-ylsulfanyl-1H-pyrazol-3-amine is sourced from PubChem (CID 164667635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).