5-methyl-1-(6-methylheptyl)pyrazol-3-amine

C12H23N3 — CID 165483391

IUPAC5-methyl-1-(6-methylheptyl)pyrazol-3-amine
SMILESCc1cc(N)nn1CCCCCC(C)C
InChIInChI=1S/C12H23N3/c1-10(2)7-5-4-6-8-15-11(3)9-12(13)14-15/h9-10H,4-8H2,1-3H3,(H2,13,14)
InChIKeyYHQRHBKMPXYTQW-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.99
Rot. Bonds6

About 5-methyl-1-(6-methylheptyl)pyrazol-3-amine

5-methyl-1-(6-methylheptyl)pyrazol-3-amine (PubChem CID 165483391) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 5-methyl-1-(6-methylheptyl)pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-1-(6-methylheptyl)pyrazol-3-amine
PubChem CID165483391
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name5-methyl-1-(6-methylheptyl)pyrazol-3-amine
SMILESCc1cc(N)nn1CCCCCC(C)C
InChIInChI=1S/C12H23N3/c1-10(2)7-5-4-6-8-15-11(3)9-12(13)14-15/h9-10H,4-8H2,1-3H3,(H2,13,14)
InChIKeyYHQRHBKMPXYTQW-UHFFFAOYSA-N
XLogP2.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-Dimethyl-1H-pyrazol-5-amine
CID 520721
1-Isopropyl-3-methyl-1H-pyrazol-5-amine
CID 121018
1-Ethyl-3-methyl-1H-pyrazol-5-amine
CID 2768383
3-methyl-1-pentyl-1H-pyrazol-5-amine
CID 2828712
5-Methyl-2-(1-methyl-piperidin-4-yl)-2H-pyrazol-3-ylamine
CID 646883
1,5-dimethyl-1H-pyrazol-3-amine
CID 7017747
1-Cyclopentyl-3-methyl-1H-pyrazol-5-amine
CID 3152524
1-Cyclohexyl-3-methyl-1H-pyrazol-5-amine
CID 4571951
1,3-bis(propan-2-yl)-1H-pyrazol-5-amine
CID 12763781
3-cyclohexyl-1-methyl-1H-pyrazol-5-amine
CID 13324829
5-Methyl-1-(1-methylethyl)-1H-pyrazol-3-amine
CID 7176029
3-Methyl-1-propyl-1H-pyrazol-5-amine
CID 1094292

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(6-methylheptyl)pyrazol-3-amine?
The IUPAC name of 5-methyl-1-(6-methylheptyl)pyrazol-3-amine (CID 165483391) is 5-methyl-1-(6-methylheptyl)pyrazol-3-amine.
What is the SMILES notation for 5-methyl-1-(6-methylheptyl)pyrazol-3-amine?
The canonical SMILES for 5-methyl-1-(6-methylheptyl)pyrazol-3-amine is Cc1cc(N)nn1CCCCCC(C)C.
What is the InChIKey of 5-methyl-1-(6-methylheptyl)pyrazol-3-amine?
The InChIKey is YHQRHBKMPXYTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-10(2)7-5-4-6-8-15-11(3)9-12(13)14-15/h9-10H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of 5-methyl-1-(6-methylheptyl)pyrazol-3-amine?
5-methyl-1-(6-methylheptyl)pyrazol-3-amine has a molecular weight of 209.34 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(6-methylheptyl)pyrazol-3-amine is sourced from PubChem (CID 165483391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).