1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide

C20H15ClN4O2S — CID 22308209

IUPAC1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)n(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1
InChIInChI=1S/C20H15ClN4O2S/c1-27-15-8-4-12(5-9-15)16-10-18(19(22)26)25(24-16)20-23-17(11-28-20)13-2-6-14(21)7-3-13/h2-11H,1H3,(H2,22,26)
InChIKeyQXSILKIWFWIKDB-UHFFFAOYSA-N
MW410.89 g/mol
LogP4.42
Rot. Bonds5

About 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide

1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide (PubChem CID 22308209) has the molecular formula C20H15ClN4O2S and a molecular weight of 410.89 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
PubChem CID22308209
Molecular FormulaC20H15ClN4O2S
Molecular Weight410.89 g/mol
Exact Mass410.06
IUPAC Name1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(N)=O)n(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1
InChIInChI=1S/C20H15ClN4O2S/c1-27-15-8-4-12(5-9-15)16-10-18(19(22)26)25(24-16)20-23-17(11-28-20)13-2-6-14(21)7-3-13/h2-11H,1H3,(H2,22,26)
InChIKeyQXSILKIWFWIKDB-UHFFFAOYSA-N
XLogP4.42
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.89
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
CID 1498355
3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 10859327
N-[3-(4-bromophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
CID 1490075
4-(4-chlorophenyl)-2-[4-ethyl-3,5-bis(4-methoxyphenyl)pyrazol-1-yl]-1,3-thiazole
CID 19586745
1-(4-chlorophenyl)-N,N-diethyl-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42755325
1-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 27668806
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 91871386
N-[3-(4-chlorophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide
CID 1489999
1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)azetidin-2-one
CID 10343924
N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzohydrazide
CID 1497726
2-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8748052
4-(4-chlorophenyl)-1,3-thiazole-2-carboxamide
CID 10130961

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide?
The IUPAC name of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide (CID 22308209) is 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide is COc1ccc(-c2cc(C(N)=O)n(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide?
The InChIKey is QXSILKIWFWIKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2S/c1-27-15-8-4-12(5-9-15)16-10-18(19(22)26)25(24-16)20-23-17(11-28-20)13-2-6-14(21)7-3-13/h2-11H,1H3,(H2,22,26).
What are the key properties of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide?
1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide has a molecular weight of 410.89 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 22308209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).