N-ethyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide

C20H24N6O2S — CID 11846199

IUPACN-ethyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
SMILESCCNC(=O)c1cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2s1
InChIInChI=1S/C20H24N6O2S/c1-3-21-20(28)16-12-15-17(29-16)18(24-23-15)22-19(27)13-4-6-14(7-5-13)26-10-8-25(2)9-11-26/h4-7,12H,3,8-11H2,1-2H3,(H,21,28)(H2,22,23,24,27)
InChIKeyDZGPQCOEPODXIA-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.38
Rot. Bonds5

About N-ethyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide

N-ethyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide (PubChem CID 11846199) has the molecular formula C20H24N6O2S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-ethyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
PubChem CID11846199
Molecular FormulaC20H24N6O2S
Molecular Weight412.52 g/mol
Exact Mass412.17
IUPAC NameN-ethyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide
SMILESCCNC(=O)c1cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2s1
InChIInChI=1S/C20H24N6O2S/c1-3-21-20(28)16-12-15-17(29-16)18(24-23-15)22-19(27)13-4-6-14(7-5-13)26-10-8-25(2)9-11-26/h4-7,12H,3,8-11H2,1-2H3,(H,21,28)(H2,22,23,24,27)
InChIKeyDZGPQCOEPODXIA-UHFFFAOYSA-N
XLogP2.38
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide?
The IUPAC name of N-ethyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide (CID 11846199) is N-ethyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide.
What is the SMILES notation for N-ethyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide?
The canonical SMILES for N-ethyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide is CCNC(=O)c1cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2s1.
What is the InChIKey of N-ethyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide?
The InChIKey is DZGPQCOEPODXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2S/c1-3-21-20(28)16-12-15-17(29-16)18(24-23-15)22-19(27)13-4-6-14(7-5-13)26-10-8-25(2)9-11-26/h4-7,12H,3,8-11H2,1-2H3,(H,21,28)(H2,22,23,24,27).
What are the key properties of N-ethyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide?
N-ethyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-1H-thieno[3,2-c]pyrazole-5-carboxamide is sourced from PubChem (CID 11846199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).