5-tert-butyl-N-ethyl-1H-pyrazol-3-amine

C9H17N3 — CID 20699952

IUPAC5-tert-butyl-N-ethyl-1H-pyrazol-3-amine
SMILESCCNc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C9H17N3/c1-5-10-8-6-7(11-12-8)9(2,3)4/h6H,5H2,1-4H3,(H2,10,11,12)
InChIKeyNAPHCOUVCIPNCV-UHFFFAOYSA-N
MW167.26 g/mol
LogP2.14
Rot. Bonds2

About 5-tert-butyl-N-ethyl-1H-pyrazol-3-amine

5-tert-butyl-N-ethyl-1H-pyrazol-3-amine (PubChem CID 20699952) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 5-tert-butyl-N-ethyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-tert-butyl-N-ethyl-1H-pyrazol-3-amine
PubChem CID20699952
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name5-tert-butyl-N-ethyl-1H-pyrazol-3-amine
SMILESCCNc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C9H17N3/c1-5-10-8-6-7(11-12-8)9(2,3)4/h6H,5H2,1-4H3,(H2,10,11,12)
InChIKeyNAPHCOUVCIPNCV-UHFFFAOYSA-N
XLogP2.14
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-ethyl-1H-pyrazol-3-amine?
The IUPAC name of 5-tert-butyl-N-ethyl-1H-pyrazol-3-amine (CID 20699952) is 5-tert-butyl-N-ethyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-tert-butyl-N-ethyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-tert-butyl-N-ethyl-1H-pyrazol-3-amine is CCNc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of 5-tert-butyl-N-ethyl-1H-pyrazol-3-amine?
The InChIKey is NAPHCOUVCIPNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-5-10-8-6-7(11-12-8)9(2,3)4/h6H,5H2,1-4H3,(H2,10,11,12).
What are the key properties of 5-tert-butyl-N-ethyl-1H-pyrazol-3-amine?
5-tert-butyl-N-ethyl-1H-pyrazol-3-amine has a molecular weight of 167.26 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-ethyl-1H-pyrazol-3-amine is sourced from PubChem (CID 20699952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).