N-ethyl-2-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]acetamide

C21H25N5O2S — CID 36520985

IUPACN-ethyl-2-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1
InChIInChI=1S/C21H25N5O2S/c1-3-22-19(27)14-24-9-11-25(12-10-24)20(28)18-13-17-15(2)23-26(21(17)29-18)16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3,(H,22,27)
InChIKeyNMVUCRPQNNMTRL-UHFFFAOYSA-N
MW411.53 g/mol
LogP2.29
Rot. Bonds5

About N-ethyl-2-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]acetamide

N-ethyl-2-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]acetamide (PubChem CID 36520985) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-ethyl-2-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]acetamide
PubChem CID36520985
Molecular FormulaC21H25N5O2S
Molecular Weight411.53 g/mol
Exact Mass411.17
IUPAC NameN-ethyl-2-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1
InChIInChI=1S/C21H25N5O2S/c1-3-22-19(27)14-24-9-11-25(12-10-24)20(28)18-13-17-15(2)23-26(21(17)29-18)16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3,(H,22,27)
InChIKeyNMVUCRPQNNMTRL-UHFFFAOYSA-N
XLogP2.29
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-benzylpiperazin-1-yl)-[3-methyl-1-(4-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 2022815
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 9148223
azepan-1-yl-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 939101
(4-ethylpiperazin-1-yl)-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 2003814
(2-hydroxyphenyl)-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 60510046
(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-morpholin-4-ylmethanone
CID 617776
[2-(ethylamino)-2-oxoethyl] 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 2553522
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 1076000
[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-propylpiperazin-1-yl)methanone
CID 4807692
N-methyl-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 42408226
(4-benzylpiperidin-1-yl)-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)methanone
CID 2021812
(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-(2-naphthalen-1-yloxyethyl)piperazin-1-yl]methanone
CID 5125693

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]acetamide (CID 36520985) is N-ethyl-2-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]acetamide is CCNC(=O)CN1CCN(C(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)CC1.
What is the InChIKey of N-ethyl-2-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is NMVUCRPQNNMTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S/c1-3-22-19(27)14-24-9-11-25(12-10-24)20(28)18-13-17-15(2)23-26(21(17)29-18)16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3,(H,22,27).
What are the key properties of N-ethyl-2-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]acetamide?
N-ethyl-2-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 411.53 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 36520985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).