2-methylpropane;1-propan-2-ylpyrazole

C10H20N2 — CID 159283951

IUPAC2-methylpropane;1-propan-2-ylpyrazole
SMILESCC(C)C.CC(C)n1cccn1
InChIInChI=1S/C6H10N2.C4H10/c1-6(2)8-5-3-4-7-8;1-4(2)3/h3-6H,1-2H3;4H,1-3H3
InChIKeyKZGRLACQCZMQLY-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.13
Rot. Bonds1

About 2-methylpropane;1-propan-2-ylpyrazole

2-methylpropane;1-propan-2-ylpyrazole (PubChem CID 159283951) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-methylpropane;1-propan-2-ylpyrazole.

Molecular Properties

Compound Name2-methylpropane;1-propan-2-ylpyrazole
PubChem CID159283951
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-methylpropane;1-propan-2-ylpyrazole
SMILESCC(C)C.CC(C)n1cccn1
InChIInChI=1S/C6H10N2.C4H10/c1-6(2)8-5-3-4-7-8;1-4(2)3/h3-6H,1-2H3;4H,1-3H3
InChIKeyKZGRLACQCZMQLY-UHFFFAOYSA-N
XLogP3.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;1-propan-2-ylpyrazole?
The IUPAC name of 2-methylpropane;1-propan-2-ylpyrazole (CID 159283951) is 2-methylpropane;1-propan-2-ylpyrazole.
What is the SMILES notation for 2-methylpropane;1-propan-2-ylpyrazole?
The canonical SMILES for 2-methylpropane;1-propan-2-ylpyrazole is CC(C)C.CC(C)n1cccn1.
What is the InChIKey of 2-methylpropane;1-propan-2-ylpyrazole?
The InChIKey is KZGRLACQCZMQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C4H10/c1-6(2)8-5-3-4-7-8;1-4(2)3/h3-6H,1-2H3;4H,1-3H3.
What are the key properties of 2-methylpropane;1-propan-2-ylpyrazole?
2-methylpropane;1-propan-2-ylpyrazole has a molecular weight of 168.28 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;1-propan-2-ylpyrazole is sourced from PubChem (CID 159283951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).