1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine

C19H15ClN4S — CID 1498377

IUPAC1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-c2cc(N)n(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1
InChIInChI=1S/C19H15ClN4S/c1-12-2-4-13(5-3-12)16-10-18(21)24(23-16)19-22-17(11-25-19)14-6-8-15(20)9-7-14/h2-11H,21H2,1H3
InChIKeyAMMPEOCZTJNZSH-UHFFFAOYSA-N
MW366.88 g/mol
LogP5.21
Rot. Bonds3

About 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine

1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine (PubChem CID 1498377) has the molecular formula C19H15ClN4S and a molecular weight of 366.88 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine
PubChem CID1498377
Molecular FormulaC19H15ClN4S
Molecular Weight366.88 g/mol
Exact Mass366.07
IUPAC Name1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine
SMILESCc1ccc(-c2cc(N)n(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1
InChIInChI=1S/C19H15ClN4S/c1-12-2-4-13(5-3-12)16-10-18(21)24(23-16)19-22-17(11-25-19)14-6-8-15(20)9-7-14/h2-11H,21H2,1H3
InChIKeyAMMPEOCZTJNZSH-UHFFFAOYSA-N
XLogP5.21
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.88
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzothiazol-2-yl)-4-(4-chlorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 715964
Thiazole, 2-(3,5-dimethyl-1-pyrazolyl)-4-phenyl-
CID 388615
4-(3-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazole
CID 829964
1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-4-(2-thienyl)-1H-pyrazol-5-amine
CID 1474409
4-(4-chlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazole
CID 1498249
1H-Pyrazol-5-amine, 3-(4-bromophenyl)-1-(4-(4-bromophenyl)-2-thiazolyl)-
CID 100592
1H-Pyrazol-5-amine, 3-(4-chlorophenyl)-1-(4-phenyl-2-thiazolyl)-
CID 986333
1H-Pyrazol-5-amine, 1-(4-(4-bromophenyl)-2-thiazolyl)-3-(4-chlorophenyl)-
CID 1498367
1H-Pyrazol-5-amine, 3-(4-chlorophenyl)-1-(4-(4-chlorophenyl)-2-thiazolyl)-
CID 3057627
1H-Pyrazol-5-amine, 1-(4-(4-chlorophenyl)-2-thiazolyl)-3-phenyl-
CID 1498382
4-(3,4-dichlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazole
CID 3303878
4-[1-amino-2-(4-chlorophenyl)ethyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine
CID 49786854

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine?
The IUPAC name of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine (CID 1498377) is 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine?
The canonical SMILES for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine is Cc1ccc(-c2cc(N)n(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine?
The InChIKey is AMMPEOCZTJNZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4S/c1-12-2-4-13(5-3-12)16-10-18(21)24(23-16)19-22-17(11-25-19)14-6-8-15(20)9-7-14/h2-11H,21H2,1H3.
What are the key properties of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine?
1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine has a molecular weight of 366.88 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-amine is sourced from PubChem (CID 1498377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).