3-methyl-N-[5-(4-methylpiperazine-1-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide

C19H21N5O2S — CID 67399160

IUPAC3-methyl-N-[5-(4-methylpiperazine-1-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide
SMILESCc1cccc(C(=O)Nc2[nH]nc3sc(C(=O)N4CCN(C)CC4)cc23)c1
InChIInChI=1S/C19H21N5O2S/c1-12-4-3-5-13(10-12)17(25)20-16-14-11-15(27-18(14)22-21-16)19(26)24-8-6-23(2)7-9-24/h3-5,10-11H,6-9H2,1-2H3,(H2,20,21,22,25)
InChIKeyIJHXZDMXOCFGLW-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.57
Rot. Bonds3

About 3-methyl-N-[5-(4-methylpiperazine-1-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide

3-methyl-N-[5-(4-methylpiperazine-1-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide (PubChem CID 67399160) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 3-methyl-N-[5-(4-methylpiperazine-1-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[5-(4-methylpiperazine-1-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide
PubChem CID67399160
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name3-methyl-N-[5-(4-methylpiperazine-1-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide
SMILESCc1cccc(C(=O)Nc2[nH]nc3sc(C(=O)N4CCN(C)CC4)cc23)c1
InChIInChI=1S/C19H21N5O2S/c1-12-4-3-5-13(10-12)17(25)20-16-14-11-15(27-18(14)22-21-16)19(26)24-8-6-23(2)7-9-24/h3-5,10-11H,6-9H2,1-2H3,(H2,20,21,22,25)
InChIKeyIJHXZDMXOCFGLW-UHFFFAOYSA-N
XLogP2.57
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157849
N-[(E)-benzylideneamino]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 70968487
2-fluoro-N-[5-(morpholine-4-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide
CID 67400020
N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104452
[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 2018606
N-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401518
N-(3,5-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053558
3-[(3-fluorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67398195
N-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053559
3-methyl-N-(4-methylpiperazin-1-yl)benzamide
CID 872229
[3-(3-methylphenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71690161
(4-methylpiperazin-1-yl)-(7-methylthieno[2,3-b]quinolin-2-yl)methanone
CID 864178

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-(4-methylpiperazine-1-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide?
The IUPAC name of 3-methyl-N-[5-(4-methylpiperazine-1-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide (CID 67399160) is 3-methyl-N-[5-(4-methylpiperazine-1-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[5-(4-methylpiperazine-1-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide?
The canonical SMILES for 3-methyl-N-[5-(4-methylpiperazine-1-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide is Cc1cccc(C(=O)Nc2[nH]nc3sc(C(=O)N4CCN(C)CC4)cc23)c1.
What is the InChIKey of 3-methyl-N-[5-(4-methylpiperazine-1-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide?
The InChIKey is IJHXZDMXOCFGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-12-4-3-5-13(10-12)17(25)20-16-14-11-15(27-18(14)22-21-16)19(26)24-8-6-23(2)7-9-24/h3-5,10-11H,6-9H2,1-2H3,(H2,20,21,22,25).
What are the key properties of 3-methyl-N-[5-(4-methylpiperazine-1-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide?
3-methyl-N-[5-(4-methylpiperazine-1-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide has a molecular weight of 383.48 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-(4-methylpiperazine-1-carbonyl)-2H-thieno[2,3-c]pyrazol-3-yl]benzamide is sourced from PubChem (CID 67399160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).