3-(4-chlorophenyl)-1-methyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide

C16H16ClN3OS — CID 5307512

IUPAC3-(4-chlorophenyl)-1-methyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1
InChIInChI=1S/C16H16ClN3OS/c1-9(2)18-15(21)13-8-12-14(19-20(3)16(12)22-13)10-4-6-11(17)7-5-10/h4-9H,1-3H3,(H,18,21)
InChIKeyBXLYDLYSHBNVGX-UHFFFAOYSA-N
MW333.84 g/mol
LogP4.09
Rot. Bonds3

About 3-(4-chlorophenyl)-1-methyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide

3-(4-chlorophenyl)-1-methyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 5307512) has the molecular formula C16H16ClN3OS and a molecular weight of 333.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-methyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-methyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID5307512
Molecular FormulaC16H16ClN3OS
Molecular Weight333.84 g/mol
Exact Mass333.07
IUPAC Name3-(4-chlorophenyl)-1-methyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCC(C)NC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1
InChIInChI=1S/C16H16ClN3OS/c1-9(2)18-15(21)13-8-12-14(19-20(3)16(12)22-13)10-4-6-11(17)7-5-10/h4-9H,1-3H3,(H,18,21)
InChIKeyBXLYDLYSHBNVGX-UHFFFAOYSA-N
XLogP4.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-methyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-1-methyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide (CID 5307512) is 3-(4-chlorophenyl)-1-methyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-1-methyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-1-methyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide is CC(C)NC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1.
What is the InChIKey of 3-(4-chlorophenyl)-1-methyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is BXLYDLYSHBNVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3OS/c1-9(2)18-15(21)13-8-12-14(19-20(3)16(12)22-13)10-4-6-11(17)7-5-10/h4-9H,1-3H3,(H,18,21).
What are the key properties of 3-(4-chlorophenyl)-1-methyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide?
3-(4-chlorophenyl)-1-methyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 333.84 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-methyl-N-propan-2-ylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 5307512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).