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

C20H18ClN3O2S — CID 17498389

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)N(C)Cc3ccc(-c4ccc(Cl)cc4)o3)cc12
InChIInChI=1S/C20H18ClN3O2S/c1-12-16-10-18(27-20(16)24(3)22-12)19(25)23(2)11-15-8-9-17(26-15)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3
InChIKeySLNVLIUJBFDVBK-UHFFFAOYSA-N
MW399.90 g/mol
LogP5.13
Rot. Bonds4

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

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 17498389) has the molecular formula C20H18ClN3O2S and a molecular weight of 399.90 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID17498389
Molecular FormulaC20H18ClN3O2S
Molecular Weight399.90 g/mol
Exact Mass399.08
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)N(C)Cc3ccc(-c4ccc(Cl)cc4)o3)cc12
InChIInChI=1S/C20H18ClN3O2S/c1-12-16-10-18(27-20(16)24(3)22-12)19(25)23(2)11-15-8-9-17(26-15)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3
InChIKeySLNVLIUJBFDVBK-UHFFFAOYSA-N
XLogP5.13
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.90
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide with MolForge

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Related Compounds

[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl] 1,3-dimethylthieno[3,2-d]pyrazole-5-carboxylate
CID 16604264
N-[(5-chlorothiophen-2-yl)methyl]-N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51305145
N,N-diethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60708120
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-phenyltriazole-4-carboxamide
CID 46576084
N,N-bis(2-hydroxyethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 61233617
N,1,3-trimethyl-N-(2-phenoxyethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51304910
N-[(2,4-dichlorophenyl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 26018814
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-ethyl-N-methylbenzotriazole-5-carboxamide
CID 9203744
1-[5-(4-chlorophenyl)furan-2-yl]-N,N-dimethylmethanamine;hydrochloride
CID 131862742
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 26069836
N-(2,4-difluorophenyl)-1,3-dimethyl-N-(thiophen-2-ylmethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 55887371
N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60706910

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide (CID 17498389) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2sc(C(=O)N(C)Cc3ccc(-c4ccc(Cl)cc4)o3)cc12.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is SLNVLIUJBFDVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2S/c1-12-16-10-18(27-20(16)24(3)22-12)19(25)23(2)11-15-8-9-17(26-15)13-4-6-14(21)7-5-13/h4-10H,11H2,1-3H3.
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 399.90 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 17498389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).