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

C13H19N3O2 — CID 91819392

IUPACN-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide
SMILESCn1nc2c(c1CNC(=O)C1CCOC1)CCC2
InChIInChI=1S/C13H19N3O2/c1-16-12(10-3-2-4-11(10)15-16)7-14-13(17)9-5-6-18-8-9/h9H,2-8H2,1H3,(H,14,17)
InChIKeySPFCKHFZBGGFGT-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.56
Rot. Bonds3

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

N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide (PubChem CID 91819392) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide
PubChem CID91819392
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide
SMILESCn1nc2c(c1CNC(=O)C1CCOC1)CCC2
InChIInChI=1S/C13H19N3O2/c1-16-12(10-3-2-4-11(10)15-16)7-14-13(17)9-5-6-18-8-9/h9H,2-8H2,1H3,(H,14,17)
InChIKeySPFCKHFZBGGFGT-UHFFFAOYSA-N
XLogP0.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide (CID 91819392) is N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide is Cn1nc2c(c1CNC(=O)C1CCOC1)CCC2.
What is the InChIKey of N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide?
The InChIKey is SPFCKHFZBGGFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16-12(10-3-2-4-11(10)15-16)7-14-13(17)9-5-6-18-8-9/h9H,2-8H2,1H3,(H,14,17).
What are the key properties of N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide?
N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 91819392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).