6-amino-1-(1-propan-2-ylpyrazol-3-yl)heptan-2-one

C13H23N3O — CID 116610103

IUPAC6-amino-1-(1-propan-2-ylpyrazol-3-yl)heptan-2-one
SMILESCC(N)CCCC(=O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C13H23N3O/c1-10(2)16-8-7-12(15-16)9-13(17)6-4-5-11(3)14/h7-8,10-11H,4-6,9,14H2,1-3H3
InChIKeyUMIVCOXFOGTUIP-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.09
Rot. Bonds7

About 6-amino-1-(1-propan-2-ylpyrazol-3-yl)heptan-2-one

6-amino-1-(1-propan-2-ylpyrazol-3-yl)heptan-2-one (PubChem CID 116610103) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 6-amino-1-(1-propan-2-ylpyrazol-3-yl)heptan-2-one.

Molecular Properties

Compound Name6-amino-1-(1-propan-2-ylpyrazol-3-yl)heptan-2-one
PubChem CID116610103
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name6-amino-1-(1-propan-2-ylpyrazol-3-yl)heptan-2-one
SMILESCC(N)CCCC(=O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C13H23N3O/c1-10(2)16-8-7-12(15-16)9-13(17)6-4-5-11(3)14/h7-8,10-11H,4-6,9,14H2,1-3H3
InChIKeyUMIVCOXFOGTUIP-UHFFFAOYSA-N
XLogP2.09
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-amino-1-(1-propan-2-ylpyrazol-3-yl)heptan-2-one 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

5-methyl-1-(1-propan-2-ylpyrazol-3-yl)hexan-2-one
CID 64771535
1-(1-propan-2-ylpyrazol-3-yl)undecan-2-one
CID 114975653
1-amino-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 116548395
4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one
CID 105105618
7-amino-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)octan-2-one
CID 116574347
1-(1,3-dioxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 103543712
1-(1-pentan-3-ylpyrazol-3-yl)octan-2-one
CID 114976201
1-(3,4-dimethylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 64773333
1-(1-pentan-3-ylpyrazol-3-yl)decan-2-one
CID 114976149
1-(1-butan-2-ylpyrazol-3-yl)-5-methoxyhexan-2-one
CID 105105528
2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butanoic acid
CID 81009367
2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid
CID 64772542

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(1-propan-2-ylpyrazol-3-yl)heptan-2-one?
The IUPAC name of 6-amino-1-(1-propan-2-ylpyrazol-3-yl)heptan-2-one (CID 116610103) is 6-amino-1-(1-propan-2-ylpyrazol-3-yl)heptan-2-one.
What is the SMILES notation for 6-amino-1-(1-propan-2-ylpyrazol-3-yl)heptan-2-one?
The canonical SMILES for 6-amino-1-(1-propan-2-ylpyrazol-3-yl)heptan-2-one is CC(N)CCCC(=O)Cc1ccn(C(C)C)n1.
What is the InChIKey of 6-amino-1-(1-propan-2-ylpyrazol-3-yl)heptan-2-one?
The InChIKey is UMIVCOXFOGTUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)16-8-7-12(15-16)9-13(17)6-4-5-11(3)14/h7-8,10-11H,4-6,9,14H2,1-3H3.
What are the key properties of 6-amino-1-(1-propan-2-ylpyrazol-3-yl)heptan-2-one?
6-amino-1-(1-propan-2-ylpyrazol-3-yl)heptan-2-one has a molecular weight of 237.35 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(1-propan-2-ylpyrazol-3-yl)heptan-2-one is sourced from PubChem (CID 116610103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).