1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]-3-cyclopropylimidazolidin-4-one

C20H19ClN4O2S — CID 100740586

IUPAC1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]-3-cyclopropylimidazolidin-4-one
SMILESCc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3CC(=O)N(C4CC4)C3)cc12
InChIInChI=1S/C20H19ClN4O2S/c1-12-15-8-17(19(27)23-10-18(26)24(11-23)14-6-7-14)28-20(15)25(22-12)9-13-4-2-3-5-16(13)21/h2-5,8,14H,6-7,9-11H2,1H3
InChIKeyLBFWXWLWDRGMSU-UHFFFAOYSA-N
MW414.92 g/mol
LogP3.51
Rot. Bonds4

About 1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]-3-cyclopropylimidazolidin-4-one

1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]-3-cyclopropylimidazolidin-4-one (PubChem CID 100740586) has the molecular formula C20H19ClN4O2S and a molecular weight of 414.92 g/mol. Its IUPAC name is 1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]-3-cyclopropylimidazolidin-4-one.

Molecular Properties

Compound Name1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]-3-cyclopropylimidazolidin-4-one
PubChem CID100740586
Molecular FormulaC20H19ClN4O2S
Molecular Weight414.92 g/mol
Exact Mass414.09
IUPAC Name1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]-3-cyclopropylimidazolidin-4-one
SMILESCc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3CC(=O)N(C4CC4)C3)cc12
InChIInChI=1S/C20H19ClN4O2S/c1-12-15-8-17(19(27)23-10-18(26)24(11-23)14-6-7-14)28-20(15)25(22-12)9-13-4-2-3-5-16(13)21/h2-5,8,14H,6-7,9-11H2,1H3
InChIKeyLBFWXWLWDRGMSU-UHFFFAOYSA-N
XLogP3.51
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.92
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]-3-cyclopropylimidazolidin-4-one?
The IUPAC name of 1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]-3-cyclopropylimidazolidin-4-one (CID 100740586) is 1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]-3-cyclopropylimidazolidin-4-one.
What is the SMILES notation for 1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]-3-cyclopropylimidazolidin-4-one?
The canonical SMILES for 1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]-3-cyclopropylimidazolidin-4-one is Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3CC(=O)N(C4CC4)C3)cc12.
What is the InChIKey of 1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]-3-cyclopropylimidazolidin-4-one?
The InChIKey is LBFWXWLWDRGMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2S/c1-12-15-8-17(19(27)23-10-18(26)24(11-23)14-6-7-14)28-20(15)25(22-12)9-13-4-2-3-5-16(13)21/h2-5,8,14H,6-7,9-11H2,1H3.
What are the key properties of 1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]-3-cyclopropylimidazolidin-4-one?
1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]-3-cyclopropylimidazolidin-4-one has a molecular weight of 414.92 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]-3-cyclopropylimidazolidin-4-one is sourced from PubChem (CID 100740586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).