2-(methoxymethyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazole-4-carboxamide

C18H18N4O2S — CID 48574488

IUPAC2-(methoxymethyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCOCc1nc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cs1
InChIInChI=1S/C18H18N4O2S/c1-24-10-16-19-15(11-25-16)18(23)20-17-13-8-5-9-14(13)21-22(17)12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H,20,23)
InChIKeyGHMMNLQXXNXGMO-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.22
Rot. Bonds5

About 2-(methoxymethyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazole-4-carboxamide

2-(methoxymethyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 48574488) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID48574488
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2-(methoxymethyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCOCc1nc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cs1
InChIInChI=1S/C18H18N4O2S/c1-24-10-16-19-15(11-25-16)18(23)20-17-13-8-5-9-14(13)21-22(17)12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H,20,23)
InChIKeyGHMMNLQXXNXGMO-UHFFFAOYSA-N
XLogP3.22
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(methoxymethyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazole-4-carboxamide (CID 48574488) is 2-(methoxymethyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(methoxymethyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(methoxymethyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazole-4-carboxamide is COCc1nc(C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cs1.
What is the InChIKey of 2-(methoxymethyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is GHMMNLQXXNXGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-24-10-16-19-15(11-25-16)18(23)20-17-13-8-5-9-14(13)21-22(17)12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3,(H,20,23).
What are the key properties of 2-(methoxymethyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazole-4-carboxamide?
2-(methoxymethyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 48574488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).