2,2-dimethylpropane;1-methylpyrazole

C9H18N2 — CID 159902213

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 Name2,2-dimethylpropane;1-methylpyrazole
PubChem CID159902213
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2,2-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
XLogP2.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 159857565
1-methylpyrazole;platinum(2+);propan-2-amine;diacetate
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CID 161305054
methane;2-methylindazole;1-methylpyrazole
CID 160697576
ethane;(3Z)-4-methylhexa-1,3-diene;1-methylpyrazole
CID 142385944
ethane;4-ethyl-1,3-dimethylpyrazole;1-methylpyrazole
CID 170573695
1-tert-butylpyrazole;ethane;methane
CID 159210260
ethane;1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;1-methylpyrazole
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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).