N-(2-ethylbutyl)-2-propylpyrazol-3-amine

C12H23N3 — CID 115924285

IUPACN-(2-ethylbutyl)-2-propylpyrazol-3-amine
SMILESCCCn1nccc1NCC(CC)CC
InChIInChI=1S/C12H23N3/c1-4-9-15-12(7-8-14-15)13-10-11(5-2)6-3/h7-8,11,13H,4-6,9-10H2,1-3H3
InChIKeyCAYYLBZRUQXQSI-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.14
Rot. Bonds7

About N-(2-ethylbutyl)-2-propylpyrazol-3-amine

N-(2-ethylbutyl)-2-propylpyrazol-3-amine (PubChem CID 115924285) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-(2-ethylbutyl)-2-propylpyrazol-3-amine.

Molecular Properties

Compound NameN-(2-ethylbutyl)-2-propylpyrazol-3-amine
PubChem CID115924285
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-(2-ethylbutyl)-2-propylpyrazol-3-amine
SMILESCCCn1nccc1NCC(CC)CC
InChIInChI=1S/C12H23N3/c1-4-9-15-12(7-8-14-15)13-10-11(5-2)6-3/h7-8,11,13H,4-6,9-10H2,1-3H3
InChIKeyCAYYLBZRUQXQSI-UHFFFAOYSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-2-propylpyrazol-3-amine?
The IUPAC name of N-(2-ethylbutyl)-2-propylpyrazol-3-amine (CID 115924285) is N-(2-ethylbutyl)-2-propylpyrazol-3-amine.
What is the SMILES notation for N-(2-ethylbutyl)-2-propylpyrazol-3-amine?
The canonical SMILES for N-(2-ethylbutyl)-2-propylpyrazol-3-amine is CCCn1nccc1NCC(CC)CC.
What is the InChIKey of N-(2-ethylbutyl)-2-propylpyrazol-3-amine?
The InChIKey is CAYYLBZRUQXQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-9-15-12(7-8-14-15)13-10-11(5-2)6-3/h7-8,11,13H,4-6,9-10H2,1-3H3.
What are the key properties of N-(2-ethylbutyl)-2-propylpyrazol-3-amine?
N-(2-ethylbutyl)-2-propylpyrazol-3-amine has a molecular weight of 209.34 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-2-propylpyrazol-3-amine is sourced from PubChem (CID 115924285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).