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

C12H14N4O2 — CID 30859199

IUPAC3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2c3c(nn2C)CCC3)on1
InChIInChI=1S/C12H14N4O2/c1-7-6-10(18-15-7)12(17)13-11-8-4-3-5-9(8)14-16(11)2/h6H,3-5H2,1-2H3,(H,13,17)
InChIKeySQRSQKPZHFZFNZ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.46
Rot. Bonds2

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

3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,2-oxazole-5-carboxamide (PubChem CID 30859199) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,2-oxazole-5-carboxamide
PubChem CID30859199
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2c3c(nn2C)CCC3)on1
InChIInChI=1S/C12H14N4O2/c1-7-6-10(18-15-7)12(17)13-11-8-4-3-5-9(8)14-16(11)2/h6H,3-5H2,1-2H3,(H,13,17)
InChIKeySQRSQKPZHFZFNZ-UHFFFAOYSA-N
XLogP1.46
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,2-oxazole-5-carboxamide (CID 30859199) is 3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2c3c(nn2C)CCC3)on1.
What is the InChIKey of 3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is SQRSQKPZHFZFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7-6-10(18-15-7)12(17)13-11-8-4-3-5-9(8)14-16(11)2/h6H,3-5H2,1-2H3,(H,13,17).
What are the key properties of 3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,2-oxazole-5-carboxamide?
3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 30859199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).