N-methoxy-N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide

C13H21N5O2 — CID 91960632

IUPACN-methoxy-N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
SMILESCON(C)C(=O)CCn1ncc2c1c(C)nn2C(C)C
InChIInChI=1S/C13H21N5O2/c1-9(2)18-11-8-14-17(13(11)10(3)15-18)7-6-12(19)16(4)20-5/h8-9H,6-7H2,1-5H3
InChIKeyMWYRPNQQZJFPSA-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.53
Rot. Bonds5

About N-methoxy-N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide

N-methoxy-N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide (PubChem CID 91960632) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-methoxy-N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
PubChem CID91960632
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN-methoxy-N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
SMILESCON(C)C(=O)CCn1ncc2c1c(C)nn2C(C)C
InChIInChI=1S/C13H21N5O2/c1-9(2)18-11-8-14-17(13(11)10(3)15-18)7-6-12(19)16(4)20-5/h8-9H,6-7H2,1-5H3
InChIKeyMWYRPNQQZJFPSA-UHFFFAOYSA-N
XLogP1.53
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide?
The IUPAC name of N-methoxy-N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide (CID 91960632) is N-methoxy-N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide.
What is the SMILES notation for N-methoxy-N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide?
The canonical SMILES for N-methoxy-N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide is CON(C)C(=O)CCn1ncc2c1c(C)nn2C(C)C.
What is the InChIKey of N-methoxy-N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide?
The InChIKey is MWYRPNQQZJFPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-9(2)18-11-8-14-17(13(11)10(3)15-18)7-6-12(19)16(4)20-5/h8-9H,6-7H2,1-5H3.
What are the key properties of N-methoxy-N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide?
N-methoxy-N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide has a molecular weight of 279.34 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide is sourced from PubChem (CID 91960632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).