4-amino-1-(1-methylpyrazol-3-yl)hexan-2-one

C10H17N3O — CID 116609043

IUPAC4-amino-1-(1-methylpyrazol-3-yl)hexan-2-one
SMILESCCC(N)CC(=O)Cc1ccn(C)n1
InChIInChI=1S/C10H17N3O/c1-3-8(11)6-10(14)7-9-4-5-13(2)12-9/h4-5,8H,3,6-7,11H2,1-2H3
InChIKeyNSYXGKHUNWFKNX-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.66
Rot. Bonds5

About 4-amino-1-(1-methylpyrazol-3-yl)hexan-2-one

4-amino-1-(1-methylpyrazol-3-yl)hexan-2-one (PubChem CID 116609043) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-amino-1-(1-methylpyrazol-3-yl)hexan-2-one.

Molecular Properties

Compound Name4-amino-1-(1-methylpyrazol-3-yl)hexan-2-one
PubChem CID116609043
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-amino-1-(1-methylpyrazol-3-yl)hexan-2-one
SMILESCCC(N)CC(=O)Cc1ccn(C)n1
InChIInChI=1S/C10H17N3O/c1-3-8(11)6-10(14)7-9-4-5-13(2)12-9/h4-5,8H,3,6-7,11H2,1-2H3
InChIKeyNSYXGKHUNWFKNX-UHFFFAOYSA-N
XLogP0.66
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-one
CID 116609163
3-ethyl-1-(1-methylpyrazol-3-yl)pentan-2-one
CID 115793089
1-(butan-2-ylamino)-3-(1-methylpyrazol-3-yl)propan-2-one
CID 116556161
4-amino-1-pyridin-2-ylhexan-2-one
CID 116609167
1-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)propan-2-one
CID 82870110
3-ethoxy-1-(1-methylpyrazol-3-yl)pentan-2-one
CID 116707579
(2R)-2-amino-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 82873249
1,1-dimethoxy-3-(1-methylpyrazol-3-yl)propan-2-one
CID 82869464
4-(4-aminophenyl)-1-(1-methylpyrazol-3-yl)butan-2-one
CID 116605460
methyl 2-(1-methylpyrazol-3-yl)acetate
CID 13269736
1-amino-4-(1-methylpyrazol-3-yl)butan-2-one
CID 82413753
1-(1-methylpyrazol-3-yl)hexan-3-amine
CID 82869047

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1-methylpyrazol-3-yl)hexan-2-one?
The IUPAC name of 4-amino-1-(1-methylpyrazol-3-yl)hexan-2-one (CID 116609043) is 4-amino-1-(1-methylpyrazol-3-yl)hexan-2-one.
What is the SMILES notation for 4-amino-1-(1-methylpyrazol-3-yl)hexan-2-one?
The canonical SMILES for 4-amino-1-(1-methylpyrazol-3-yl)hexan-2-one is CCC(N)CC(=O)Cc1ccn(C)n1.
What is the InChIKey of 4-amino-1-(1-methylpyrazol-3-yl)hexan-2-one?
The InChIKey is NSYXGKHUNWFKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-8(11)6-10(14)7-9-4-5-13(2)12-9/h4-5,8H,3,6-7,11H2,1-2H3.
What are the key properties of 4-amino-1-(1-methylpyrazol-3-yl)hexan-2-one?
4-amino-1-(1-methylpyrazol-3-yl)hexan-2-one has a molecular weight of 195.27 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1-methylpyrazol-3-yl)hexan-2-one is sourced from PubChem (CID 116609043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).