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

C19H21ClN4O2S — CID 5309545

IUPAC3-(4-chlorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NCCN3CCOCC3)sc21
InChIInChI=1S/C19H21ClN4O2S/c1-23-19-15(17(22-23)13-2-4-14(20)5-3-13)12-16(27-19)18(25)21-6-7-24-8-10-26-11-9-24/h2-5,12H,6-11H2,1H3,(H,21,25)
InChIKeyHBHDWNFOLVSQNA-UHFFFAOYSA-N
MW404.92 g/mol
LogP3.02
Rot. Bonds5

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

3-(4-chlorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 5309545) has the molecular formula C19H21ClN4O2S and a molecular weight of 404.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID5309545
Molecular FormulaC19H21ClN4O2S
Molecular Weight404.92 g/mol
Exact Mass404.11
IUPAC Name3-(4-chlorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NCCN3CCOCC3)sc21
InChIInChI=1S/C19H21ClN4O2S/c1-23-19-15(17(22-23)13-2-4-14(20)5-3-13)12-16(27-19)18(25)21-6-7-24-8-10-26-11-9-24/h2-5,12H,6-11H2,1H3,(H,21,25)
InChIKeyHBHDWNFOLVSQNA-UHFFFAOYSA-N
XLogP3.02
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{2-[butyl(ethyl)amino]ethyl}-3-(4-chlorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 16007418
3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylthieno[2,3-c]pyrazole-5-carboxamide
CID 5309908
3-(4-chlorophenyl)-N-[2-(dipropylamino)ethyl]-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 16007420
3-(4-chlorophenyl)-1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]thieno[2,3-c]pyrazole-5-carboxamide
CID 5308230
N-[(2R)-1-(4-acetylpiperazin-1-yl)propan-2-yl]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 46175179
N-[1-(4-acetylpiperazin-1-yl)propan-2-yl]-1-methyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 46231930
N-[1-(4-acetylpiperazin-1-yl)propan-2-yl]-3-(2-fluorophenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 46231932
3-methyl-N-[2-(4-morpholinyl)ethyl]-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide
CID 3242544
N-{2-[butyl(methyl)amino]ethyl}-3-(2-fluorophenyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 20857612
1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 2521695
3-(2-fluorophenyl)-N-(2-methoxyethyl)-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 3242757
3-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1-methyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 5307327

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 5309545) is 3-(4-chlorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide is Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NCCN3CCOCC3)sc21.
What is the InChIKey of 3-(4-chlorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is HBHDWNFOLVSQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2S/c1-23-19-15(17(22-23)13-2-4-14(20)5-3-13)12-16(27-19)18(25)21-6-7-24-8-10-26-11-9-24/h2-5,12H,6-11H2,1H3,(H,21,25).
What are the key properties of 3-(4-chlorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide?
3-(4-chlorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 404.92 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-methyl-N-(2-morpholin-4-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 5309545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).