4-[(2-methylpyrazol-3-yl)amino]azepan-2-one

C10H16N4O — CID 63888711

IUPAC4-[(2-methylpyrazol-3-yl)amino]azepan-2-one
SMILESCn1nccc1NC1CCCNC(=O)C1
InChIInChI=1S/C10H16N4O/c1-14-9(4-6-12-14)13-8-3-2-5-11-10(15)7-8/h4,6,8,13H,2-3,5,7H2,1H3,(H,11,15)
InChIKeyUGBAIVZPPDUJHG-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.50
Rot. Bonds2

About 4-[(2-methylpyrazol-3-yl)amino]azepan-2-one

4-[(2-methylpyrazol-3-yl)amino]azepan-2-one (PubChem CID 63888711) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-[(2-methylpyrazol-3-yl)amino]azepan-2-one.

Molecular Properties

Compound Name4-[(2-methylpyrazol-3-yl)amino]azepan-2-one
PubChem CID63888711
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name4-[(2-methylpyrazol-3-yl)amino]azepan-2-one
SMILESCn1nccc1NC1CCCNC(=O)C1
InChIInChI=1S/C10H16N4O/c1-14-9(4-6-12-14)13-8-3-2-5-11-10(15)7-8/h4,6,8,13H,2-3,5,7H2,1H3,(H,11,15)
InChIKeyUGBAIVZPPDUJHG-UHFFFAOYSA-N
XLogP0.50
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpyrazol-3-yl)amino]azepan-2-one?
The IUPAC name of 4-[(2-methylpyrazol-3-yl)amino]azepan-2-one (CID 63888711) is 4-[(2-methylpyrazol-3-yl)amino]azepan-2-one.
What is the SMILES notation for 4-[(2-methylpyrazol-3-yl)amino]azepan-2-one?
The canonical SMILES for 4-[(2-methylpyrazol-3-yl)amino]azepan-2-one is Cn1nccc1NC1CCCNC(=O)C1.
What is the InChIKey of 4-[(2-methylpyrazol-3-yl)amino]azepan-2-one?
The InChIKey is UGBAIVZPPDUJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-14-9(4-6-12-14)13-8-3-2-5-11-10(15)7-8/h4,6,8,13H,2-3,5,7H2,1H3,(H,11,15).
What are the key properties of 4-[(2-methylpyrazol-3-yl)amino]azepan-2-one?
4-[(2-methylpyrazol-3-yl)amino]azepan-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpyrazol-3-yl)amino]azepan-2-one is sourced from PubChem (CID 63888711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).