4-N-[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]benzene-1,4-dicarboxamide

C16H13ClN4O2S — CID 167812117

IUPAC4-N-[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]benzene-1,4-dicarboxamide
SMILESCn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C16H13ClN4O2S/c1-21-14(8-11(20-21)12-6-7-13(17)24-12)19-16(23)10-4-2-9(3-5-10)15(18)22/h2-8H,1H3,(H2,18,22)(H,19,23)
InChIKeyATOAGTANRUXOJB-UHFFFAOYSA-N
MW360.83 g/mol
LogP3.15
Rot. Bonds4

About 4-N-[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]benzene-1,4-dicarboxamide

4-N-[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]benzene-1,4-dicarboxamide (PubChem CID 167812117) has the molecular formula C16H13ClN4O2S and a molecular weight of 360.83 g/mol. Its IUPAC name is 4-N-[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]benzene-1,4-dicarboxamide
PubChem CID167812117
Molecular FormulaC16H13ClN4O2S
Molecular Weight360.83 g/mol
Exact Mass360.04
IUPAC Name4-N-[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]benzene-1,4-dicarboxamide
SMILESCn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1ccc(C(N)=O)cc1
InChIInChI=1S/C16H13ClN4O2S/c1-21-14(8-11(20-21)12-6-7-13(17)24-12)19-16(23)10-4-2-9(3-5-10)15(18)22/h2-8H,1H3,(H2,18,22)(H,19,23)
InChIKeyATOAGTANRUXOJB-UHFFFAOYSA-N
XLogP3.15
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.83
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chlorothiophen-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 82293487
1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122091976
1-[[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122091979
2-N-[1-methyl-3-(1-methylimidazol-2-yl)pyrazol-5-yl]pyridine-2,5-dicarboxamide
CID 99638300
4-tert-butyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 5002157
4-N-[4-(4-bromophenyl)-1,3-dimethylpyrazol-5-yl]benzene-1,4-dicarboxamide
CID 56575763
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide
CID 7565311
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-propan-2-yloxybenzamide
CID 4062415
4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 10038843
N-[3-(furan-2-yl)-1-methylpyrazol-5-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 119049958
N-(2,5-dimethylpyrazol-3-yl)-4-propan-2-yloxybenzamide
CID 45284563
4-amino-N-(2,5-dimethylpyrazol-3-yl)-3-methylbenzamide
CID 16784587

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]benzene-1,4-dicarboxamide (CID 167812117) is 4-N-[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]benzene-1,4-dicarboxamide is Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-N-[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]benzene-1,4-dicarboxamide?
The InChIKey is ATOAGTANRUXOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2S/c1-21-14(8-11(20-21)12-6-7-13(17)24-12)19-16(23)10-4-2-9(3-5-10)15(18)22/h2-8H,1H3,(H2,18,22)(H,19,23).
What are the key properties of 4-N-[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]benzene-1,4-dicarboxamide?
4-N-[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]benzene-1,4-dicarboxamide has a molecular weight of 360.83 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(5-chlorothiophen-2-yl)-1-methylpyrazol-5-yl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 167812117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).