3-methylidene-2,4-di(propan-2-yl)-1H-pyrazole

C10H18N2 — CID 67476026

IUPAC3-methylidene-2,4-di(propan-2-yl)-1H-pyrazole
SMILESC=C1C(C(C)C)=CNN1C(C)C
InChIInChI=1S/C10H18N2/c1-7(2)10-6-11-12(8(3)4)9(10)5/h6-8,11H,5H2,1-4H3
InChIKeyKHVXZVYBJZOVBG-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.27
Rot. Bonds2

About 3-methylidene-2,4-di(propan-2-yl)-1H-pyrazole

3-methylidene-2,4-di(propan-2-yl)-1H-pyrazole (PubChem CID 67476026) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 3-methylidene-2,4-di(propan-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name3-methylidene-2,4-di(propan-2-yl)-1H-pyrazole
PubChem CID67476026
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name3-methylidene-2,4-di(propan-2-yl)-1H-pyrazole
SMILESC=C1C(C(C)C)=CNN1C(C)C
InChIInChI=1S/C10H18N2/c1-7(2)10-6-11-12(8(3)4)9(10)5/h6-8,11H,5H2,1-4H3
InChIKeyKHVXZVYBJZOVBG-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2,4-di(propan-2-yl)-1H-pyrazole?
The IUPAC name of 3-methylidene-2,4-di(propan-2-yl)-1H-pyrazole (CID 67476026) is 3-methylidene-2,4-di(propan-2-yl)-1H-pyrazole.
What is the SMILES notation for 3-methylidene-2,4-di(propan-2-yl)-1H-pyrazole?
The canonical SMILES for 3-methylidene-2,4-di(propan-2-yl)-1H-pyrazole is C=C1C(C(C)C)=CNN1C(C)C.
What is the InChIKey of 3-methylidene-2,4-di(propan-2-yl)-1H-pyrazole?
The InChIKey is KHVXZVYBJZOVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-7(2)10-6-11-12(8(3)4)9(10)5/h6-8,11H,5H2,1-4H3.
What are the key properties of 3-methylidene-2,4-di(propan-2-yl)-1H-pyrazole?
3-methylidene-2,4-di(propan-2-yl)-1H-pyrazole has a molecular weight of 166.27 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2,4-di(propan-2-yl)-1H-pyrazole is sourced from PubChem (CID 67476026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).