3-(4-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide

C19H16ClN3O2S — CID 5307826

IUPAC3-(4-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)o1
InChIInChI=1S/C19H16ClN3O2S/c1-11-3-8-14(25-11)10-21-18(24)16-9-15-17(22-23(2)19(15)26-16)12-4-6-13(20)7-5-12/h3-9H,10H2,1-2H3,(H,21,24)
InChIKeyWTSCRZNUHVAQIB-UHFFFAOYSA-N
MW385.88 g/mol
LogP4.79
Rot. Bonds4

About 3-(4-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide

3-(4-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 5307826) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID5307826
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC Name3-(4-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)o1
InChIInChI=1S/C19H16ClN3O2S/c1-11-3-8-14(25-11)10-21-18(24)16-9-15-17(22-23(2)19(15)26-16)12-4-6-13(20)7-5-12/h3-9H,10H2,1-2H3,(H,21,24)
InChIKeyWTSCRZNUHVAQIB-UHFFFAOYSA-N
XLogP4.79
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide (CID 5307826) is 3-(4-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide is Cc1ccc(CNC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)o1.
What is the InChIKey of 3-(4-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is WTSCRZNUHVAQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c1-11-3-8-14(25-11)10-21-18(24)16-9-15-17(22-23(2)19(15)26-16)12-4-6-13(20)7-5-12/h3-9H,10H2,1-2H3,(H,21,24).
What are the key properties of 3-(4-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide?
3-(4-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 385.88 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 5307826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).