2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pent-4-en-1-one

C10H15N3O2 — CID 114670977

IUPAC2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pent-4-en-1-one
SMILESC=CCC(N)C(=O)c1c(OC)cnn1C
InChIInChI=1S/C10H15N3O2/c1-4-5-7(11)10(14)9-8(15-3)6-12-13(9)2/h4,6-7H,1,5,11H2,2-3H3
InChIKeyOWKVOTDYCAJPJR-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.51
Rot. Bonds5

About 2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pent-4-en-1-one

2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pent-4-en-1-one (PubChem CID 114670977) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pent-4-en-1-one.

Molecular Properties

Compound Name2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pent-4-en-1-one
PubChem CID114670977
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pent-4-en-1-one
SMILESC=CCC(N)C(=O)c1c(OC)cnn1C
InChIInChI=1S/C10H15N3O2/c1-4-5-7(11)10(14)9-8(15-3)6-12-13(9)2/h4,6-7H,1,5,11H2,2-3H3
InChIKeyOWKVOTDYCAJPJR-UHFFFAOYSA-N
XLogP0.51
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethanone
CID 104940695
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
CID 115809538
4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
2-amino-1-(2,6-dimethoxyphenyl)pent-4-en-1-one
CID 116811614
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
CID 114642497
2-amino-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pent-4-en-1-one
CID 114670989
3,3,3-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one
CID 103311593
2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-thiophen-2-ylethanone
CID 114670723
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430
5-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pentan-1-one
CID 114669303
6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-one
CID 114668168
(E)-1-(4-methoxy-1-methylpyrazol-5-yl)pent-2-en-1-one
CID 103454159

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pent-4-en-1-one?
The IUPAC name of 2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pent-4-en-1-one (CID 114670977) is 2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pent-4-en-1-one.
What is the SMILES notation for 2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pent-4-en-1-one?
The canonical SMILES for 2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pent-4-en-1-one is C=CCC(N)C(=O)c1c(OC)cnn1C.
What is the InChIKey of 2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pent-4-en-1-one?
The InChIKey is OWKVOTDYCAJPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-4-5-7(11)10(14)9-8(15-3)6-12-13(9)2/h4,6-7H,1,5,11H2,2-3H3.
What are the key properties of 2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pent-4-en-1-one?
2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pent-4-en-1-one has a molecular weight of 209.25 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)pent-4-en-1-one is sourced from PubChem (CID 114670977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).