N-ethyl-1-methylpyrazol-4-amine

C6H11N3 — CID 43534862

IUPACN-ethyl-1-methylpyrazol-4-amine
SMILESCCNc1cnn(C)c1
InChIInChI=1S/C6H11N3/c1-3-7-6-4-8-9(2)5-6/h4-5,7H,3H2,1-2H3
InChIKeyPUVWFSUNHHFSFG-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.85
Rot. Bonds2

About N-ethyl-1-methylpyrazol-4-amine

N-ethyl-1-methylpyrazol-4-amine (PubChem CID 43534862) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N-ethyl-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-ethyl-1-methylpyrazol-4-amine
PubChem CID43534862
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN-ethyl-1-methylpyrazol-4-amine
SMILESCCNc1cnn(C)c1
InChIInChI=1S/C6H11N3/c1-3-7-6-4-8-9(2)5-6/h4-5,7H,3H2,1-2H3
InChIKeyPUVWFSUNHHFSFG-UHFFFAOYSA-N
XLogP0.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methylpyrazol-4-amine?
The IUPAC name of N-ethyl-1-methylpyrazol-4-amine (CID 43534862) is N-ethyl-1-methylpyrazol-4-amine.
What is the SMILES notation for N-ethyl-1-methylpyrazol-4-amine?
The canonical SMILES for N-ethyl-1-methylpyrazol-4-amine is CCNc1cnn(C)c1.
What is the InChIKey of N-ethyl-1-methylpyrazol-4-amine?
The InChIKey is PUVWFSUNHHFSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-3-7-6-4-8-9(2)5-6/h4-5,7H,3H2,1-2H3.
What are the key properties of N-ethyl-1-methylpyrazol-4-amine?
N-ethyl-1-methylpyrazol-4-amine has a molecular weight of 125.17 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methylpyrazol-4-amine is sourced from PubChem (CID 43534862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).