N-heptan-2-yl-1,5-dimethylpyrazol-4-amine

C12H23N3 — CID 115923292

IUPACN-heptan-2-yl-1,5-dimethylpyrazol-4-amine
SMILESCCCCCC(C)Nc1cnn(C)c1C
InChIInChI=1S/C12H23N3/c1-5-6-7-8-10(2)14-12-9-13-15(4)11(12)3/h9-10,14H,5-8H2,1-4H3
InChIKeyBQVSARMFRAVZDF-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.11
Rot. Bonds6

About N-heptan-2-yl-1,5-dimethylpyrazol-4-amine

N-heptan-2-yl-1,5-dimethylpyrazol-4-amine (PubChem CID 115923292) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-heptan-2-yl-1,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-heptan-2-yl-1,5-dimethylpyrazol-4-amine
PubChem CID115923292
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-heptan-2-yl-1,5-dimethylpyrazol-4-amine
SMILESCCCCCC(C)Nc1cnn(C)c1C
InChIInChI=1S/C12H23N3/c1-5-6-7-8-10(2)14-12-9-13-15(4)11(12)3/h9-10,14H,5-8H2,1-4H3
InChIKeyBQVSARMFRAVZDF-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 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 ≤ 53.11
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

4-bromo-5-(hexan-2-ylamino)-2-methylpyridazin-3-one
CID 114436919
N-heptan-2-yl-2-methylpyrazol-3-amine
CID 115921288
N-[(2R)-heptan-2-yl]-1-methylpyrazol-4-amine
CID 93104217
N-(3-methoxybutan-2-yl)-1,5-dimethylpyrazol-4-amine
CID 115923272
4-chloro-5-(heptan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114435383
1-(1,5-dimethylpyrazol-4-yl)decan-1-ol
CID 79584764
1-(1,5-dimethylpyrazol-4-yl)tridecan-1-ol
CID 79569749
1,5-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazol-4-amine
CID 115923213
1-(1,5-dimethylpyrazol-4-yl)heptan-1-amine
CID 105126212
N-nonan-2-yl-1-propan-2-ylpyrazol-4-amine
CID 63478238
3-bromo-N-heptan-2-ylpyridin-4-amine
CID 104776911
1,5-dimethyl-N-(1-phenylethyl)pyrazol-4-amine
CID 115923286

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-1,5-dimethylpyrazol-4-amine?
The IUPAC name of N-heptan-2-yl-1,5-dimethylpyrazol-4-amine (CID 115923292) is N-heptan-2-yl-1,5-dimethylpyrazol-4-amine.
What is the SMILES notation for N-heptan-2-yl-1,5-dimethylpyrazol-4-amine?
The canonical SMILES for N-heptan-2-yl-1,5-dimethylpyrazol-4-amine is CCCCCC(C)Nc1cnn(C)c1C.
What is the InChIKey of N-heptan-2-yl-1,5-dimethylpyrazol-4-amine?
The InChIKey is BQVSARMFRAVZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-6-7-8-10(2)14-12-9-13-15(4)11(12)3/h9-10,14H,5-8H2,1-4H3.
What are the key properties of N-heptan-2-yl-1,5-dimethylpyrazol-4-amine?
N-heptan-2-yl-1,5-dimethylpyrazol-4-amine has a molecular weight of 209.34 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-1,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 115923292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).