3-methyl-1-phenyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide

C18H14N4OS — CID 4133203

IUPAC3-methyl-1-phenyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccnc3)cc12
InChIInChI=1S/C18H14N4OS/c1-12-15-10-16(17(23)20-13-6-5-9-19-11-13)24-18(15)22(21-12)14-7-3-2-4-8-14/h2-11H,1H3,(H,20,23)
InChIKeyCIKVPKTZGJLVLZ-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.04
Rot. Bonds3

About 3-methyl-1-phenyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide

3-methyl-1-phenyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 4133203) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-methyl-1-phenyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-1-phenyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID4133203
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name3-methyl-1-phenyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccnc3)cc12
InChIInChI=1S/C18H14N4OS/c1-12-15-10-16(17(23)20-13-6-5-9-19-11-13)24-18(15)22(21-12)14-7-3-2-4-8-14/h2-11H,1H3,(H,20,23)
InChIKeyCIKVPKTZGJLVLZ-UHFFFAOYSA-N
XLogP4.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-methyl-1-phenyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide (CID 4133203) is 3-methyl-1-phenyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-methyl-1-phenyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-methyl-1-phenyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccnc3)cc12.
What is the InChIKey of 3-methyl-1-phenyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is CIKVPKTZGJLVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-12-15-10-16(17(23)20-13-6-5-9-19-11-13)24-18(15)22(21-12)14-7-3-2-4-8-14/h2-11H,1H3,(H,20,23).
What are the key properties of 3-methyl-1-phenyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide?
3-methyl-1-phenyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-N-pyridin-3-ylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 4133203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).