3-tert-butyl-1-methylpyrazole-5-carboxamide;cyclobutylazanium;ethane

Name: 3-tert-butyl-1-methylpyrazole-5-carboxamide;cyclobutylazanium;ethane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₃₁N₄O+ — CID 169215508

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-tert-butyl-1-methylpyrazole-5-carboxamide;cyclobutylazanium;ethane

SMILESCC.Cn1nc(C(C)(C)C)cc1C(N)=O.[NH3+]C1CCC1

InChIInChI=1S/C9H15N3O.C4H9N.C2H6/c1-9(2,3)7-5-6(8(10)13)12(4)11-7;5-4-2-1-3-4;1-2/h5H,1-4H3,(H2,10,13);4H,1-3,5H2;1-2H3/p+1

InChIKeyAOHLFKLTTJBCQN-UHFFFAOYSA-O

MW283.44 g/mol

LogP1.62

Rot. Bonds1

About 3-tert-butyl-1-methylpyrazole-5-carboxamide;cyclobutylazanium;ethane

3-tert-butyl-1-methylpyrazole-5-carboxamide;cyclobutylazanium;ethane (PubChem CID 169215508) has the molecular formula C₁₅H₃₁N₄O+ and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-tert-butyl-1-methylpyrazole-5-carboxamide;cyclobutylazanium;ethane.

Molecular Properties

Compound Name	3-tert-butyl-1-methylpyrazole-5-carboxamide;cyclobutylazanium;ethane
PubChem CID	169215508
Molecular Formula	C₁₅H₃₁N₄O+
Molecular Weight	283.44 g/mol
Exact Mass	283.25
IUPAC Name	3-tert-butyl-1-methylpyrazole-5-carboxamide;cyclobutylazanium;ethane
SMILES	CC.Cn1nc(C(C)(C)C)cc1C(N)=O.[NH3+]C1CCC1
InChI	InChI=1S/C9H15N3O.C4H9N.C2H6/c1-9(2,3)7-5-6(8(10)13)12(4)11-7;5-4-2-1-3-4;1-2/h5H,1-4H3,(H2,10,13);4H,1-3,5H2;1-2H3/p+1
InChIKey	AOHLFKLTTJBCQN-UHFFFAOYSA-O
XLogP	1.62
TPSA	88.55 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	1
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	283.44
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methylpyrazole-5-carboxamide;cyclobutylazanium;ethane?

The IUPAC name of 3-tert-butyl-1-methylpyrazole-5-carboxamide;cyclobutylazanium;ethane (CID 169215508) is 3-tert-butyl-1-methylpyrazole-5-carboxamide;cyclobutylazanium;ethane.

What is the SMILES notation for 3-tert-butyl-1-methylpyrazole-5-carboxamide;cyclobutylazanium;ethane?

The canonical SMILES for 3-tert-butyl-1-methylpyrazole-5-carboxamide;cyclobutylazanium;ethane is CC.Cn1nc(C(C)(C)C)cc1C(N)=O.[NH3+]C1CCC1.

What is the InChIKey of 3-tert-butyl-1-methylpyrazole-5-carboxamide;cyclobutylazanium;ethane?

The InChIKey is AOHLFKLTTJBCQN-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H15N3O.C4H9N.C2H6/c1-9(2,3)7-5-6(8(10)13)12(4)11-7;5-4-2-1-3-4;1-2/h5H,1-4H3,(H2,10,13);4H,1-3,5H2;1-2H3/p+1.

What are the key properties of 3-tert-butyl-1-methylpyrazole-5-carboxamide;cyclobutylazanium;ethane?

3-tert-butyl-1-methylpyrazole-5-carboxamide;cyclobutylazanium;ethane has a molecular weight of 283.44 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-1-methylpyrazole-5-carboxamide;cyclobutylazanium;ethane is sourced from PubChem (CID 169215508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 169215508 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.