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

C17H16ClN3OS — CID 5309217

IUPAC[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCCC3)sc21
InChIInChI=1S/C17H16ClN3OS/c1-20-17-13(15(19-20)11-4-6-12(18)7-5-11)10-14(23-17)16(22)21-8-2-3-9-21/h4-7,10H,2-3,8-9H2,1H3
InChIKeyMTNLADMYSSGRBV-UHFFFAOYSA-N
MW345.86 g/mol
LogP4.19
Rot. Bonds2

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

[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 5309217) has the molecular formula C17H16ClN3OS and a molecular weight of 345.86 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID5309217
Molecular FormulaC17H16ClN3OS
Molecular Weight345.86 g/mol
Exact Mass345.07
IUPAC Name[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCCC3)sc21
InChIInChI=1S/C17H16ClN3OS/c1-20-17-13(15(19-20)11-4-6-12(18)7-5-11)10-14(23-17)16(22)21-8-2-3-9-21/h4-7,10H,2-3,8-9H2,1H3
InChIKeyMTNLADMYSSGRBV-UHFFFAOYSA-N
XLogP4.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.86
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone (CID 5309217) is [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone is Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCCC3)sc21.
What is the InChIKey of [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is MTNLADMYSSGRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3OS/c1-20-17-13(15(19-20)11-4-6-12(18)7-5-11)10-14(23-17)16(22)21-8-2-3-9-21/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone?
[3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 345.86 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 5309217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).