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

C17H16ClN3O2S — CID 5308778

IUPAC[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone
SMILESCn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCOCC3)sc21
InChIInChI=1S/C17H16ClN3O2S/c1-20-17-13(15(19-20)11-2-4-12(18)5-3-11)10-14(24-17)16(22)21-6-8-23-9-7-21/h2-5,10H,6-9H2,1H3
InChIKeyABMLUNWYIOSVTB-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.43
Rot. Bonds2

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

[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 5308778) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone
PubChem CID5308778
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC Name[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone
SMILESCn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCOCC3)sc21
InChIInChI=1S/C17H16ClN3O2S/c1-20-17-13(15(19-20)11-2-4-12(18)5-3-11)10-14(24-17)16(22)21-6-8-23-9-7-21/h2-5,10H,6-9H2,1H3
InChIKeyABMLUNWYIOSVTB-UHFFFAOYSA-N
XLogP3.43
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.43
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]-morpholin-4-ylmethanone?
The IUPAC name of [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone (CID 5308778) is [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone is Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCOCC3)sc21.
What is the InChIKey of [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is ABMLUNWYIOSVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-20-17-13(15(19-20)11-2-4-12(18)5-3-11)10-14(24-17)16(22)21-6-8-23-9-7-21/h2-5,10H,6-9H2,1H3.
What are the key properties of [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone?
[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 361.85 g/mol, XLogP of 3.43, 2 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]-morpholin-4-ylmethanone is sourced from PubChem (CID 5308778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).