1-methyl-4-(3-methylheptan-3-yl)pyrazol-5-amine

C12H23N3 — CID 154930465

IUPAC1-methyl-4-(3-methylheptan-3-yl)pyrazol-5-amine
SMILESCCCCC(C)(CC)c1cnn(C)c1N
InChIInChI=1S/C12H23N3/c1-5-7-8-12(3,6-2)10-9-14-15(4)11(10)13/h9H,5-8,13H2,1-4H3
InChIKeyAAHDXGBYGMMPSF-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.86
Rot. Bonds5

About 1-methyl-4-(3-methylheptan-3-yl)pyrazol-5-amine

1-methyl-4-(3-methylheptan-3-yl)pyrazol-5-amine (PubChem CID 154930465) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-methyl-4-(3-methylheptan-3-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-(3-methylheptan-3-yl)pyrazol-5-amine
PubChem CID154930465
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-methyl-4-(3-methylheptan-3-yl)pyrazol-5-amine
SMILESCCCCC(C)(CC)c1cnn(C)c1N
InChIInChI=1S/C12H23N3/c1-5-7-8-12(3,6-2)10-9-14-15(4)11(10)13/h9H,5-8,13H2,1-4H3
InChIKeyAAHDXGBYGMMPSF-UHFFFAOYSA-N
XLogP2.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methylheptan-3-yl)pyrazol-5-amine?
The IUPAC name of 1-methyl-4-(3-methylheptan-3-yl)pyrazol-5-amine (CID 154930465) is 1-methyl-4-(3-methylheptan-3-yl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-(3-methylheptan-3-yl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-(3-methylheptan-3-yl)pyrazol-5-amine is CCCCC(C)(CC)c1cnn(C)c1N.
What is the InChIKey of 1-methyl-4-(3-methylheptan-3-yl)pyrazol-5-amine?
The InChIKey is AAHDXGBYGMMPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-7-8-12(3,6-2)10-9-14-15(4)11(10)13/h9H,5-8,13H2,1-4H3.
What are the key properties of 1-methyl-4-(3-methylheptan-3-yl)pyrazol-5-amine?
1-methyl-4-(3-methylheptan-3-yl)pyrazol-5-amine has a molecular weight of 209.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methylheptan-3-yl)pyrazol-5-amine is sourced from PubChem (CID 154930465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).