N-cyclopropyl-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide

C17H17N3OS — CID 941623

IUPACN-cyclopropyl-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1ccccc1-n1nc(C)c2cc(C(=O)NC3CC3)sc21
InChIInChI=1S/C17H17N3OS/c1-10-5-3-4-6-14(10)20-17-13(11(2)19-20)9-15(22-17)16(21)18-12-7-8-12/h3-6,9,12H,7-8H2,1-2H3,(H,18,21)
InChIKeyYAQGWTTXIJOTIA-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.60
Rot. Bonds3

About N-cyclopropyl-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide

N-cyclopropyl-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 941623) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-cyclopropyl-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID941623
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN-cyclopropyl-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1ccccc1-n1nc(C)c2cc(C(=O)NC3CC3)sc21
InChIInChI=1S/C17H17N3OS/c1-10-5-3-4-6-14(10)20-17-13(11(2)19-20)9-15(22-17)16(21)18-12-7-8-12/h3-6,9,12H,7-8H2,1-2H3,(H,18,21)
InChIKeyYAQGWTTXIJOTIA-UHFFFAOYSA-N
XLogP3.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 941623) is N-cyclopropyl-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1ccccc1-n1nc(C)c2cc(C(=O)NC3CC3)sc21.
What is the InChIKey of N-cyclopropyl-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is YAQGWTTXIJOTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-10-5-3-4-6-14(10)20-17-13(11(2)19-20)9-15(22-17)16(21)18-12-7-8-12/h3-6,9,12H,7-8H2,1-2H3,(H,18,21).
What are the key properties of N-cyclopropyl-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
N-cyclopropyl-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 941623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).