(5-amino-1-methylpyrazol-4-yl)-(cycloocten-1-yl)methanone

C13H19N3O — CID 106651903

IUPAC(5-amino-1-methylpyrazol-4-yl)-(cycloocten-1-yl)methanone
SMILESCn1ncc(C(=O)C2=CCCCCCC2)c1N
InChIInChI=1S/C13H19N3O/c1-16-13(14)11(9-15-16)12(17)10-7-5-3-2-4-6-8-10/h7,9H,2-6,8,14H2,1H3
InChIKeyAXULOUMQRGODEW-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.47
Rot. Bonds2

About (5-amino-1-methylpyrazol-4-yl)-(cycloocten-1-yl)methanone

(5-amino-1-methylpyrazol-4-yl)-(cycloocten-1-yl)methanone (PubChem CID 106651903) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (5-amino-1-methylpyrazol-4-yl)-(cycloocten-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1-methylpyrazol-4-yl)-(cycloocten-1-yl)methanone
PubChem CID106651903
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(5-amino-1-methylpyrazol-4-yl)-(cycloocten-1-yl)methanone
SMILESCn1ncc(C(=O)C2=CCCCCCC2)c1N
InChIInChI=1S/C13H19N3O/c1-16-13(14)11(9-15-16)12(17)10-7-5-3-2-4-6-8-10/h7,9H,2-6,8,14H2,1H3
InChIKeyAXULOUMQRGODEW-UHFFFAOYSA-N
XLogP2.47
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-amino-1-methylpyrazol-4-yl)-(cycloocten-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-5-methyl-3-pyridinyl)-(cyclohexen-1-yl)methanone
CID 103450009
(5-amino-1-methylpyrazol-4-yl)-(azocan-1-yl)methanone
CID 115330379
(2-amino-5-chloro-3-pyridinyl)-(cyclohepten-1-yl)methanone
CID 103450525
[(1E)-cycloocten-1-yl]-(2-methylphenyl)methanone
CID 106651753
cyclohepten-1-yl-(3-fluoro-4-pyridinyl)methanone
CID 103450510
cyclohexen-1-yl-(2,4,5-trimethylphenyl)methanone
CID 103449982
cyclohepten-1-yl-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 106655994
(5-amino-1-methylpyrazol-4-yl)-(2-chlorophenyl)methanone
CID 65360377
(5-bromo-3-methyltriazol-4-yl)-(cyclohexen-1-yl)methanone
CID 106461763
cyclohexen-1-yl-(2-methylphenyl)methanone
CID 62078822
5-amino-N-cyclohexyl-N,1-dimethylpyrazole-4-carboxamide
CID 110485278
[(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methanone
CID 106652204

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(cycloocten-1-yl)methanone?
The IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(cycloocten-1-yl)methanone (CID 106651903) is (5-amino-1-methylpyrazol-4-yl)-(cycloocten-1-yl)methanone.
What is the SMILES notation for (5-amino-1-methylpyrazol-4-yl)-(cycloocten-1-yl)methanone?
The canonical SMILES for (5-amino-1-methylpyrazol-4-yl)-(cycloocten-1-yl)methanone is Cn1ncc(C(=O)C2=CCCCCCC2)c1N.
What is the InChIKey of (5-amino-1-methylpyrazol-4-yl)-(cycloocten-1-yl)methanone?
The InChIKey is AXULOUMQRGODEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16-13(14)11(9-15-16)12(17)10-7-5-3-2-4-6-8-10/h7,9H,2-6,8,14H2,1H3.
What are the key properties of (5-amino-1-methylpyrazol-4-yl)-(cycloocten-1-yl)methanone?
(5-amino-1-methylpyrazol-4-yl)-(cycloocten-1-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-methylpyrazol-4-yl)-(cycloocten-1-yl)methanone is sourced from PubChem (CID 106651903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).