4-[2-(4-methoxyphenyl)sulfanylquinazolin-4-yl]-5-methyl-1H-pyrazol-3-amine

C19H17N5OS — CID 142662512

IUPAC4-[2-(4-methoxyphenyl)sulfanylquinazolin-4-yl]-5-methyl-1H-pyrazol-3-amine
SMILESCOc1ccc(Sc2nc(-c3c(N)n[nH]c3C)c3ccccc3n2)cc1
InChIInChI=1S/C19H17N5OS/c1-11-16(18(20)24-23-11)17-14-5-3-4-6-15(14)21-19(22-17)26-13-9-7-12(25-2)8-10-13/h3-10H,1-2H3,(H3,20,23,24)
InChIKeyMLRCZTKJIKXCQW-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.07
Rot. Bonds4

About 4-[2-(4-methoxyphenyl)sulfanylquinazolin-4-yl]-5-methyl-1H-pyrazol-3-amine

4-[2-(4-methoxyphenyl)sulfanylquinazolin-4-yl]-5-methyl-1H-pyrazol-3-amine (PubChem CID 142662512) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)sulfanylquinazolin-4-yl]-5-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)sulfanylquinazolin-4-yl]-5-methyl-1H-pyrazol-3-amine
PubChem CID142662512
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name4-[2-(4-methoxyphenyl)sulfanylquinazolin-4-yl]-5-methyl-1H-pyrazol-3-amine
SMILESCOc1ccc(Sc2nc(-c3c(N)n[nH]c3C)c3ccccc3n2)cc1
InChIInChI=1S/C19H17N5OS/c1-11-16(18(20)24-23-11)17-14-5-3-4-6-15(14)21-19(22-17)26-13-9-7-12(25-2)8-10-13/h3-10H,1-2H3,(H3,20,23,24)
InChIKeyMLRCZTKJIKXCQW-UHFFFAOYSA-N
XLogP4.07
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)sulfanylquinazolin-4-yl]-5-methyl-1H-pyrazol-3-amine?
The IUPAC name of 4-[2-(4-methoxyphenyl)sulfanylquinazolin-4-yl]-5-methyl-1H-pyrazol-3-amine (CID 142662512) is 4-[2-(4-methoxyphenyl)sulfanylquinazolin-4-yl]-5-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)sulfanylquinazolin-4-yl]-5-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-[2-(4-methoxyphenyl)sulfanylquinazolin-4-yl]-5-methyl-1H-pyrazol-3-amine is COc1ccc(Sc2nc(-c3c(N)n[nH]c3C)c3ccccc3n2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)sulfanylquinazolin-4-yl]-5-methyl-1H-pyrazol-3-amine?
The InChIKey is MLRCZTKJIKXCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-11-16(18(20)24-23-11)17-14-5-3-4-6-15(14)21-19(22-17)26-13-9-7-12(25-2)8-10-13/h3-10H,1-2H3,(H3,20,23,24).
What are the key properties of 4-[2-(4-methoxyphenyl)sulfanylquinazolin-4-yl]-5-methyl-1H-pyrazol-3-amine?
4-[2-(4-methoxyphenyl)sulfanylquinazolin-4-yl]-5-methyl-1H-pyrazol-3-amine has a molecular weight of 363.45 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)sulfanylquinazolin-4-yl]-5-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 142662512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).