2,2-Dimethylpropane;1-methylpyrazole

Name: 2,2-Dimethylpropane;1-methylpyrazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₁₈N₂ — CID 159902213

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

IUPAC2,2-dimethylpropane;1-methylpyrazole

SMILESCC(C)(C)C.Cn1cccn1

InChIInChI=1S/C5H12.C4H6N2/c1-5(2,3)4;1-6-4-2-3-5-6/h1-4H3;2-4H,1H3

InChIKeyNWCKUGFRPHBEAW-UHFFFAOYSA-N

MW154.26 g/mol

LogP2.47

Rot. Bonds

About 2,2-Dimethylpropane;1-methylpyrazole

2,2-Dimethylpropane;1-methylpyrazole (PubChem CID 159902213) has the molecular formula C₉H₁₈N₂ and a molecular weight of 154.26 g/mol. Its IUPAC name is 2,2-dimethylpropane;1-methylpyrazole.

Molecular Properties

Compound Name	2,2-Dimethylpropane;1-methylpyrazole
PubChem CID	159902213
Molecular Formula	C₉H₁₈N₂
Molecular Weight	154.26 g/mol
Exact Mass	154.15
IUPAC Name	2,2-dimethylpropane;1-methylpyrazole
SMILES	CC(C)(C)C.Cn1cccn1
InChI	InChI=1S/C5H12.C4H6N2/c1-5(2,3)4;1-6-4-2-3-5-6/h1-4H3;2-4H,1H3
InChIKey	NWCKUGFRPHBEAW-UHFFFAOYSA-N
XLogP	2.47
TPSA	17.82 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds
Heavy Atoms	11
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	154.26
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,2-Dimethylpropane;1-methylpyrazole?

The IUPAC name of 2,2-Dimethylpropane;1-methylpyrazole (CID 159902213) is 2,2-dimethylpropane;1-methylpyrazole.

What is the SMILES notation for 2,2-Dimethylpropane;1-methylpyrazole?

The canonical SMILES for 2,2-Dimethylpropane;1-methylpyrazole is CC(C)(C)C.Cn1cccn1.

What is the InChIKey of 2,2-Dimethylpropane;1-methylpyrazole?

The InChIKey is NWCKUGFRPHBEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C4H6N2/c1-5(2,3)4;1-6-4-2-3-5-6/h1-4H3;2-4H,1H3.

What are the key properties of 2,2-Dimethylpropane;1-methylpyrazole?

2,2-Dimethylpropane;1-methylpyrazole has a molecular weight of 154.26 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-Dimethylpropane;1-methylpyrazole is sourced from PubChem (CID 159902213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 159902213 — identifiers, structure, computed properties (public domain)

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