6-(1-methylpyrazol-4-yl)hexan-3-amine

C10H19N3 — CID 64506048

IUPAC6-(1-methylpyrazol-4-yl)hexan-3-amine
SMILESCCC(N)CCCc1cnn(C)c1
InChIInChI=1S/C10H19N3/c1-3-10(11)6-4-5-9-7-12-13(2)8-9/h7-8,10H,3-6,11H2,1-2H3
InChIKeyKAGMTABTAKOSOS-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.48
Rot. Bonds5

About 6-(1-methylpyrazol-4-yl)hexan-3-amine

6-(1-methylpyrazol-4-yl)hexan-3-amine (PubChem CID 64506048) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)hexan-3-amine.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)hexan-3-amine
PubChem CID64506048
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name6-(1-methylpyrazol-4-yl)hexan-3-amine
SMILESCCC(N)CCCc1cnn(C)c1
InChIInChI=1S/C10H19N3/c1-3-10(11)6-4-5-9-7-12-13(2)8-9/h7-8,10H,3-6,11H2,1-2H3
InChIKeyKAGMTABTAKOSOS-UHFFFAOYSA-N
XLogP1.48
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chloropentyl)-1-methylpyrazole
CID 64514682
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
1-[(1-methylpyrazol-4-yl)methylsulfanyl]butan-2-amine
CID 66231493
5-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
CID 64504956
1-methyl-4-propylpyrazole;propane
CID 155742221
1-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]butan-2-amine
CID 103015060
1-(1-methylpyrazol-4-yl)undecan-3-ylhydrazine
CID 103025813
1-(1-methylpyrazol-4-yl)tetradecan-3-ol
CID 103027779
4-(5-bromo-6-methylheptyl)-1-methylpyrazole
CID 103016068
ethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate
CID 103002910
4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
CID 103012385
1-(1,3-dioxolan-2-yl)-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103544205

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)hexan-3-amine?
The IUPAC name of 6-(1-methylpyrazol-4-yl)hexan-3-amine (CID 64506048) is 6-(1-methylpyrazol-4-yl)hexan-3-amine.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)hexan-3-amine?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)hexan-3-amine is CCC(N)CCCc1cnn(C)c1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)hexan-3-amine?
The InChIKey is KAGMTABTAKOSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-10(11)6-4-5-9-7-12-13(2)8-9/h7-8,10H,3-6,11H2,1-2H3.
What are the key properties of 6-(1-methylpyrazol-4-yl)hexan-3-amine?
6-(1-methylpyrazol-4-yl)hexan-3-amine has a molecular weight of 181.28 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)hexan-3-amine is sourced from PubChem (CID 64506048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).