N-(3-chloro-2-morpholin-4-ylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

C18H19ClN4O2S — CID 41270971

IUPACN-(3-chloro-2-morpholin-4-ylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)Nc3cccc(Cl)c3N3CCOCC3)cc12
InChIInChI=1S/C18H19ClN4O2S/c1-11-12-10-15(26-18(12)22(2)21-11)17(24)20-14-5-3-4-13(19)16(14)23-6-8-25-9-7-23/h3-5,10H,6-9H2,1-2H3,(H,20,24)
InChIKeyODIFPGGUYBDFBT-UHFFFAOYSA-N
MW390.90 g/mol
LogP3.69
Rot. Bonds3

About N-(3-chloro-2-morpholin-4-ylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

N-(3-chloro-2-morpholin-4-ylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 41270971) has the molecular formula C18H19ClN4O2S and a molecular weight of 390.90 g/mol. Its IUPAC name is N-(3-chloro-2-morpholin-4-ylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-morpholin-4-ylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID41270971
Molecular FormulaC18H19ClN4O2S
Molecular Weight390.90 g/mol
Exact Mass390.09
IUPAC NameN-(3-chloro-2-morpholin-4-ylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)Nc3cccc(Cl)c3N3CCOCC3)cc12
InChIInChI=1S/C18H19ClN4O2S/c1-11-12-10-15(26-18(12)22(2)21-11)17(24)20-14-5-3-4-13(19)16(14)23-6-8-25-9-7-23/h3-5,10H,6-9H2,1-2H3,(H,20,24)
InChIKeyODIFPGGUYBDFBT-UHFFFAOYSA-N
XLogP3.69
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.90
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 17465549
N-(3-chloro-2-morpholin-4-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 131960632
N-(2-ethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304599
3,4-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)benzamide
CID 3478748
N-(2-chloro-4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60597423
3,5-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)-4-methoxybenzamide
CID 4029398
N-(3-chloro-2-morpholin-4-ylphenyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 126811432
N-(3-chloro-2-methylphenyl)-1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 171314963
1-(2-chlorophenyl)-3-methyl-N-(6-morpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 16603401
2-chloro-N-(3-chloro-2-morpholin-4-ylphenyl)-5-iodobenzamide
CID 3968174
N-(3-chloro-2-morpholin-4-ylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 24603945
N-isoquinolin-4-yl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 71907690

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (CID 41270971) is N-(3-chloro-2-morpholin-4-ylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-2-morpholin-4-ylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-2-morpholin-4-ylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2sc(C(=O)Nc3cccc(Cl)c3N3CCOCC3)cc12.
What is the InChIKey of N-(3-chloro-2-morpholin-4-ylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is ODIFPGGUYBDFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S/c1-11-12-10-15(26-18(12)22(2)21-11)17(24)20-14-5-3-4-13(19)16(14)23-6-8-25-9-7-23/h3-5,10H,6-9H2,1-2H3,(H,20,24).
What are the key properties of N-(3-chloro-2-morpholin-4-ylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
N-(3-chloro-2-morpholin-4-ylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 390.90 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-morpholin-4-ylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 41270971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).