N-tert-butyl-1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C18H20ClN3OS — CID 2081443

IUPACN-tert-butyl-1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c2sc(C(=O)NC(C)(C)C)cc12
InChIInChI=1S/C18H20ClN3OS/c1-11-13-9-15(16(23)20-18(2,3)4)24-17(13)22(21-11)10-12-7-5-6-8-14(12)19/h5-9H,10H2,1-4H3,(H,20,23)
InChIKeyGLUWQMOOSFQALM-UHFFFAOYSA-N
MW361.90 g/mol
LogP4.64
Rot. Bonds3

About N-tert-butyl-1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide

N-tert-butyl-1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 2081443) has the molecular formula C18H20ClN3OS and a molecular weight of 361.90 g/mol. Its IUPAC name is N-tert-butyl-1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID2081443
Molecular FormulaC18H20ClN3OS
Molecular Weight361.90 g/mol
Exact Mass361.10
IUPAC NameN-tert-butyl-1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c2sc(C(=O)NC(C)(C)C)cc12
InChIInChI=1S/C18H20ClN3OS/c1-11-13-9-15(16(23)20-18(2,3)4)24-17(13)22(21-11)10-12-7-5-6-8-14(12)19/h5-9H,10H2,1-4H3,(H,20,23)
InChIKeyGLUWQMOOSFQALM-UHFFFAOYSA-N
XLogP4.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-tert-butyl-1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 2081443) is N-tert-butyl-1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-tert-butyl-1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NC(C)(C)C)cc12.
What is the InChIKey of N-tert-butyl-1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is GLUWQMOOSFQALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3OS/c1-11-13-9-15(16(23)20-18(2,3)4)24-17(13)22(21-11)10-12-7-5-6-8-14(12)19/h5-9H,10H2,1-4H3,(H,20,23).
What are the key properties of N-tert-butyl-1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
N-tert-butyl-1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 361.90 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 2081443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).