1-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)propan-2-amine

C14H27N3 — CID 82699939

IUPAC1-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)propan-2-amine
SMILESCCc1nn(C(C)CC)c(CC)c1CC(C)N
InChIInChI=1S/C14H27N3/c1-6-11(5)17-14(8-3)12(9-10(4)15)13(7-2)16-17/h10-11H,6-9,15H2,1-5H3
InChIKeyAQEMIKKPOKYBPF-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.87
Rot. Bonds6

About 1-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)propan-2-amine

1-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)propan-2-amine (PubChem CID 82699939) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)propan-2-amine
PubChem CID82699939
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)propan-2-amine
SMILESCCc1nn(C(C)CC)c(CC)c1CC(C)N
InChIInChI=1S/C14H27N3/c1-6-11(5)17-14(8-3)12(9-10(4)15)13(7-2)16-17/h10-11H,6-9,15H2,1-5H3
InChIKeyAQEMIKKPOKYBPF-UHFFFAOYSA-N
XLogP2.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)propan-2-amine?
The IUPAC name of 1-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)propan-2-amine (CID 82699939) is 1-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)propan-2-amine is CCc1nn(C(C)CC)c(CC)c1CC(C)N.
What is the InChIKey of 1-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)propan-2-amine?
The InChIKey is AQEMIKKPOKYBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-6-11(5)17-14(8-3)12(9-10(4)15)13(7-2)16-17/h10-11H,6-9,15H2,1-5H3.
What are the key properties of 1-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)propan-2-amine?
1-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)propan-2-amine has a molecular weight of 237.39 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 82699939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).