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

C13H17N5O — CID 30859220

IUPAC1-ethyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2c3c(nn2C)CCC3)n1
InChIInChI=1S/C13H17N5O/c1-3-18-8-7-11(16-18)13(19)14-12-9-5-4-6-10(9)15-17(12)2/h7-8H,3-6H2,1-2H3,(H,14,19)
InChIKeyZPLVOHIRTBHFKK-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.38
Rot. Bonds3

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

1-ethyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrazole-3-carboxamide (PubChem CID 30859220) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-ethyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrazole-3-carboxamide
PubChem CID30859220
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-ethyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2c3c(nn2C)CCC3)n1
InChIInChI=1S/C13H17N5O/c1-3-18-8-7-11(16-18)13(19)14-12-9-5-4-6-10(9)15-17(12)2/h7-8H,3-6H2,1-2H3,(H,14,19)
InChIKeyZPLVOHIRTBHFKK-UHFFFAOYSA-N
XLogP1.38
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrazole-3-carboxamide (CID 30859220) is 1-ethyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2c3c(nn2C)CCC3)n1.
What is the InChIKey of 1-ethyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrazole-3-carboxamide?
The InChIKey is ZPLVOHIRTBHFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-18-8-7-11(16-18)13(19)14-12-9-5-4-6-10(9)15-17(12)2/h7-8H,3-6H2,1-2H3,(H,14,19).
What are the key properties of 1-ethyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrazole-3-carboxamide?
1-ethyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrazole-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 30859220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).