[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone

C19H21ClN4OS — CID 5309269

IUPAC[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)CC1
InChIInChI=1S/C19H21ClN4OS/c1-3-23-8-10-24(11-9-23)18(25)16-12-15-17(21-22(2)19(15)26-16)13-4-6-14(20)7-5-13/h4-7,12H,3,8-11H2,1-2H3
InChIKeyUKWKCPDKMMKIDA-UHFFFAOYSA-N
MW388.92 g/mol
LogP3.73
Rot. Bonds3

About [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone

[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 5309269) has the molecular formula C19H21ClN4OS and a molecular weight of 388.92 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID5309269
Molecular FormulaC19H21ClN4OS
Molecular Weight388.92 g/mol
Exact Mass388.11
IUPAC Name[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)CC1
InChIInChI=1S/C19H21ClN4OS/c1-3-23-8-10-24(11-9-23)18(25)16-12-15-17(21-22(2)19(15)26-16)13-4-6-14(20)7-5-13/h4-7,12H,3,8-11H2,1-2H3
InChIKeyUKWKCPDKMMKIDA-UHFFFAOYSA-N
XLogP3.73
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone (CID 5309269) is [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)CC1.
What is the InChIKey of [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is UKWKCPDKMMKIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4OS/c1-3-23-8-10-24(11-9-23)18(25)16-12-15-17(21-22(2)19(15)26-16)13-4-6-14(20)7-5-13/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone?
[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 388.92 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 5309269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).