N-ethyl-3-methyl-2-pyrazol-1-ylbutan-1-amine

C10H19N3 — CID 62447366

IUPACN-ethyl-3-methyl-2-pyrazol-1-ylbutan-1-amine
SMILESCCNCC(C(C)C)n1cccn1
InChIInChI=1S/C10H19N3/c1-4-11-8-10(9(2)3)13-7-5-6-12-13/h5-7,9-11H,4,8H2,1-3H3
InChIKeyKKTMVUNWARRTAV-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.69
Rot. Bonds5

About N-ethyl-3-methyl-2-pyrazol-1-ylbutan-1-amine

N-ethyl-3-methyl-2-pyrazol-1-ylbutan-1-amine (PubChem CID 62447366) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-ethyl-3-methyl-2-pyrazol-1-ylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-2-pyrazol-1-ylbutan-1-amine
PubChem CID62447366
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-ethyl-3-methyl-2-pyrazol-1-ylbutan-1-amine
SMILESCCNCC(C(C)C)n1cccn1
InChIInChI=1S/C10H19N3/c1-4-11-8-10(9(2)3)13-7-5-6-12-13/h5-7,9-11H,4,8H2,1-3H3
InChIKeyKKTMVUNWARRTAV-UHFFFAOYSA-N
XLogP1.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-2-pyrazol-1-ylbutan-1-amine?
The IUPAC name of N-ethyl-3-methyl-2-pyrazol-1-ylbutan-1-amine (CID 62447366) is N-ethyl-3-methyl-2-pyrazol-1-ylbutan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-2-pyrazol-1-ylbutan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-2-pyrazol-1-ylbutan-1-amine is CCNCC(C(C)C)n1cccn1.
What is the InChIKey of N-ethyl-3-methyl-2-pyrazol-1-ylbutan-1-amine?
The InChIKey is KKTMVUNWARRTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-11-8-10(9(2)3)13-7-5-6-12-13/h5-7,9-11H,4,8H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-2-pyrazol-1-ylbutan-1-amine?
N-ethyl-3-methyl-2-pyrazol-1-ylbutan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-2-pyrazol-1-ylbutan-1-amine is sourced from PubChem (CID 62447366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).