2-octan-2-ylpyrazol-3-amine

C11H21N3 — CID 43130133

IUPAC2-octan-2-ylpyrazol-3-amine
SMILESCCCCCCC(C)n1nccc1N
InChIInChI=1S/C11H21N3/c1-3-4-5-6-7-10(2)14-11(12)8-9-13-14/h8-10H,3-7,12H2,1-2H3
InChIKeyUKJALRVMPDQCQE-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.00
Rot. Bonds6

About 2-octan-2-ylpyrazol-3-amine

2-octan-2-ylpyrazol-3-amine (PubChem CID 43130133) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-octan-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name2-octan-2-ylpyrazol-3-amine
PubChem CID43130133
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-octan-2-ylpyrazol-3-amine
SMILESCCCCCCC(C)n1nccc1N
InChIInChI=1S/C11H21N3/c1-3-4-5-6-7-10(2)14-11(12)8-9-13-14/h8-10H,3-7,12H2,1-2H3
InChIKeyUKJALRVMPDQCQE-UHFFFAOYSA-N
XLogP3.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.00
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

2-(5-phenylpentan-2-yl)pyrazol-3-amine
CID 141003907
1-nonan-2-ylpyrazole
CID 121348533
1-methyl-5-octan-2-ylpyrazole
CID 135218459
1-heptan-2-yl-3-methylpyrazolo[5,4-b]pyridine
CID 139448072
4-methyl-3-(1-octan-2-yltetrazol-5-yl)aniline
CID 61477974
2-methyl-3-(1-octan-2-yltetrazol-5-yl)aniline
CID 61478494
1-heptan-2-yl-2,5-dimethylpyrrole
CID 63404385
1-(furan-3-yl)octan-2-amine
CID 105029979
5-chloro-2-(1-octan-2-yltetrazol-5-yl)aniline
CID 63463613
4-chloro-2-(1-octan-2-yltetrazol-5-yl)aniline
CID 63463614
dodecan-2-yl(trimethyl)silane
CID 11425039
1-(2-methylpyrazol-3-yl)dodecylhydrazine
CID 105307363

Frequently Asked Questions

What is the IUPAC name of 2-octan-2-ylpyrazol-3-amine?
The IUPAC name of 2-octan-2-ylpyrazol-3-amine (CID 43130133) is 2-octan-2-ylpyrazol-3-amine.
What is the SMILES notation for 2-octan-2-ylpyrazol-3-amine?
The canonical SMILES for 2-octan-2-ylpyrazol-3-amine is CCCCCCC(C)n1nccc1N.
What is the InChIKey of 2-octan-2-ylpyrazol-3-amine?
The InChIKey is UKJALRVMPDQCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-4-5-6-7-10(2)14-11(12)8-9-13-14/h8-10H,3-7,12H2,1-2H3.
What are the key properties of 2-octan-2-ylpyrazol-3-amine?
2-octan-2-ylpyrazol-3-amine has a molecular weight of 195.31 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octan-2-ylpyrazol-3-amine is sourced from PubChem (CID 43130133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).