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

C10H17N3O — CID 103133558

IUPAC3-amino-1-(1-methylpyrazol-3-yl)hexan-1-one
SMILESCCCC(N)CC(=O)c1ccn(C)n1
InChIInChI=1S/C10H17N3O/c1-3-4-8(11)7-10(14)9-5-6-13(2)12-9/h5-6,8H,3-4,7,11H2,1-2H3
InChIKeyPAGOBTFYYZWPQD-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.12
Rot. Bonds5

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

3-amino-1-(1-methylpyrazol-3-yl)hexan-1-one (PubChem CID 103133558) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-amino-1-(1-methylpyrazol-3-yl)hexan-1-one.

Molecular Properties

Compound Name3-amino-1-(1-methylpyrazol-3-yl)hexan-1-one
PubChem CID103133558
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-amino-1-(1-methylpyrazol-3-yl)hexan-1-one
SMILESCCCC(N)CC(=O)c1ccn(C)n1
InChIInChI=1S/C10H17N3O/c1-3-4-8(11)7-10(14)9-5-6-13(2)12-9/h5-6,8H,3-4,7,11H2,1-2H3
InChIKeyPAGOBTFYYZWPQD-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(1-methylpyrazol-3-yl)heptan-1-one
CID 65195809
4-amino-1-(1-methylpyrazol-3-yl)pentan-1-one
CID 103133153
3-(aminomethyl)-5-methyl-1-(1-methylpyrazol-3-yl)hexan-1-one
CID 103133201
3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(1-methylpyrazol-3-yl)butan-1-one
CID 160603771
1-(1-methylpyrazol-3-yl)hexan-3-amine
CID 82869047
2-ethoxy-1-(1-methylpyrazol-3-yl)ethanone
CID 79567430
3-amino-1-(4-chloro-1-methylpyrazol-5-yl)hexan-1-one
CID 114671020
N-(2-amino-3-hydroxybutyl)-1-methylpyrazole-3-carboxamide
CID 103120826
1-methylpyrazole-3-carboxamide
CID 13464586
N-[(2R)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763827
N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763828
3-amino-1-pyridin-3-ylhexan-1-one
CID 116607864

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-methylpyrazol-3-yl)hexan-1-one?
The IUPAC name of 3-amino-1-(1-methylpyrazol-3-yl)hexan-1-one (CID 103133558) is 3-amino-1-(1-methylpyrazol-3-yl)hexan-1-one.
What is the SMILES notation for 3-amino-1-(1-methylpyrazol-3-yl)hexan-1-one?
The canonical SMILES for 3-amino-1-(1-methylpyrazol-3-yl)hexan-1-one is CCCC(N)CC(=O)c1ccn(C)n1.
What is the InChIKey of 3-amino-1-(1-methylpyrazol-3-yl)hexan-1-one?
The InChIKey is PAGOBTFYYZWPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-4-8(11)7-10(14)9-5-6-13(2)12-9/h5-6,8H,3-4,7,11H2,1-2H3.
What are the key properties of 3-amino-1-(1-methylpyrazol-3-yl)hexan-1-one?
3-amino-1-(1-methylpyrazol-3-yl)hexan-1-one has a molecular weight of 195.27 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-methylpyrazol-3-yl)hexan-1-one is sourced from PubChem (CID 103133558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).