3-tert-butyl-1-ethylpyrazol-5-amine

C9H17N3 — CID 61265722

IUPAC3-tert-butyl-1-ethylpyrazol-5-amine
SMILESCCn1nc(C(C)(C)C)cc1N
InChIInChI=1S/C9H17N3/c1-5-12-8(10)6-7(11-12)9(2,3)4/h6H,5,10H2,1-4H3
InChIKeyLWVOMKQXJWRIIA-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.78
Rot. Bonds1

About 3-tert-butyl-1-ethylpyrazol-5-amine

3-tert-butyl-1-ethylpyrazol-5-amine (PubChem CID 61265722) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 3-tert-butyl-1-ethylpyrazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-1-ethylpyrazol-5-amine
PubChem CID61265722
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name3-tert-butyl-1-ethylpyrazol-5-amine
SMILESCCn1nc(C(C)(C)C)cc1N
InChIInChI=1S/C9H17N3/c1-5-12-8(10)6-7(11-12)9(2,3)4/h6H,5,10H2,1-4H3
InChIKeyLWVOMKQXJWRIIA-UHFFFAOYSA-N
XLogP1.78
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-ethylpyrazol-5-amine?
The IUPAC name of 3-tert-butyl-1-ethylpyrazol-5-amine (CID 61265722) is 3-tert-butyl-1-ethylpyrazol-5-amine.
What is the SMILES notation for 3-tert-butyl-1-ethylpyrazol-5-amine?
The canonical SMILES for 3-tert-butyl-1-ethylpyrazol-5-amine is CCn1nc(C(C)(C)C)cc1N.
What is the InChIKey of 3-tert-butyl-1-ethylpyrazol-5-amine?
The InChIKey is LWVOMKQXJWRIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-5-12-8(10)6-7(11-12)9(2,3)4/h6H,5,10H2,1-4H3.
What are the key properties of 3-tert-butyl-1-ethylpyrazol-5-amine?
3-tert-butyl-1-ethylpyrazol-5-amine has a molecular weight of 167.26 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-ethylpyrazol-5-amine is sourced from PubChem (CID 61265722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).