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

C13H20N4O2 — CID 91819405

IUPACN-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]morpholine-4-carboxamide
SMILESCn1nc2c(c1CNC(=O)N1CCOCC1)CCC2
InChIInChI=1S/C13H20N4O2/c1-16-12(10-3-2-4-11(10)15-16)9-14-13(18)17-5-7-19-8-6-17/h2-9H2,1H3,(H,14,18)
InChIKeyNLHFEDXWTMDHDC-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.45
Rot. Bonds2

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

N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]morpholine-4-carboxamide (PubChem CID 91819405) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]morpholine-4-carboxamide
PubChem CID91819405
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]morpholine-4-carboxamide
SMILESCn1nc2c(c1CNC(=O)N1CCOCC1)CCC2
InChIInChI=1S/C13H20N4O2/c1-16-12(10-3-2-4-11(10)15-16)9-14-13(18)17-5-7-19-8-6-17/h2-9H2,1H3,(H,14,18)
InChIKeyNLHFEDXWTMDHDC-UHFFFAOYSA-N
XLogP0.45
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.45
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]morpholine-4-carboxamide?
The IUPAC name of N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]morpholine-4-carboxamide (CID 91819405) is N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]morpholine-4-carboxamide is Cn1nc2c(c1CNC(=O)N1CCOCC1)CCC2.
What is the InChIKey of N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]morpholine-4-carboxamide?
The InChIKey is NLHFEDXWTMDHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-16-12(10-3-2-4-11(10)15-16)9-14-13(18)17-5-7-19-8-6-17/h2-9H2,1H3,(H,14,18).
What are the key properties of N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]morpholine-4-carboxamide?
N-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]morpholine-4-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.45, 2 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]morpholine-4-carboxamide is sourced from PubChem (CID 91819405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).