3-[(5-methoxy-1-methylpyrazol-3-yl)amino]-N-propan-2-ylpropanamide

C11H20N4O2 — CID 114255806

IUPAC3-[(5-methoxy-1-methylpyrazol-3-yl)amino]-N-propan-2-ylpropanamide
SMILESCOc1cc(NCCC(=O)NC(C)C)nn1C
InChIInChI=1S/C11H20N4O2/c1-8(2)13-10(16)5-6-12-9-7-11(17-4)15(3)14-9/h7-8H,5-6H2,1-4H3,(H,12,14)(H,13,16)
InChIKeyVNPGPFJOEYWETP-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.76
Rot. Bonds6

About 3-[(5-methoxy-1-methylpyrazol-3-yl)amino]-N-propan-2-ylpropanamide

3-[(5-methoxy-1-methylpyrazol-3-yl)amino]-N-propan-2-ylpropanamide (PubChem CID 114255806) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[(5-methoxy-1-methylpyrazol-3-yl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(5-methoxy-1-methylpyrazol-3-yl)amino]-N-propan-2-ylpropanamide
PubChem CID114255806
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name3-[(5-methoxy-1-methylpyrazol-3-yl)amino]-N-propan-2-ylpropanamide
SMILESCOc1cc(NCCC(=O)NC(C)C)nn1C
InChIInChI=1S/C11H20N4O2/c1-8(2)13-10(16)5-6-12-9-7-11(17-4)15(3)14-9/h7-8H,5-6H2,1-4H3,(H,12,14)(H,13,16)
InChIKeyVNPGPFJOEYWETP-UHFFFAOYSA-N
XLogP0.76
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxy-1-methylpyrazol-3-yl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(5-methoxy-1-methylpyrazol-3-yl)amino]-N-propan-2-ylpropanamide (CID 114255806) is 3-[(5-methoxy-1-methylpyrazol-3-yl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(5-methoxy-1-methylpyrazol-3-yl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(5-methoxy-1-methylpyrazol-3-yl)amino]-N-propan-2-ylpropanamide is COc1cc(NCCC(=O)NC(C)C)nn1C.
What is the InChIKey of 3-[(5-methoxy-1-methylpyrazol-3-yl)amino]-N-propan-2-ylpropanamide?
The InChIKey is VNPGPFJOEYWETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-8(2)13-10(16)5-6-12-9-7-11(17-4)15(3)14-9/h7-8H,5-6H2,1-4H3,(H,12,14)(H,13,16).
What are the key properties of 3-[(5-methoxy-1-methylpyrazol-3-yl)amino]-N-propan-2-ylpropanamide?
3-[(5-methoxy-1-methylpyrazol-3-yl)amino]-N-propan-2-ylpropanamide has a molecular weight of 240.31 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxy-1-methylpyrazol-3-yl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 114255806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).