4-methylidene-5-propan-2-ylidene-1H-pyrazole

C7H10N2 — CID 89206771

IUPAC4-methylidene-5-propan-2-ylidene-1H-pyrazole
SMILESC=c1cn[nH]c1=C(C)C
InChIInChI=1S/C7H10N2/c1-5(2)7-6(3)4-8-9-7/h4,9H,3H2,1-2H3
InChIKeyQNCHZSKOZNIWRS-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.01
Rot. Bonds

About 4-methylidene-5-propan-2-ylidene-1H-pyrazole

4-methylidene-5-propan-2-ylidene-1H-pyrazole (PubChem CID 89206771) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 4-methylidene-5-propan-2-ylidene-1H-pyrazole.

Molecular Properties

Compound Name4-methylidene-5-propan-2-ylidene-1H-pyrazole
PubChem CID89206771
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name4-methylidene-5-propan-2-ylidene-1H-pyrazole
SMILESC=c1cn[nH]c1=C(C)C
InChIInChI=1S/C7H10N2/c1-5(2)7-6(3)4-8-9-7/h4,9H,3H2,1-2H3
InChIKeyQNCHZSKOZNIWRS-UHFFFAOYSA-N
XLogP0.01
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-5-propan-2-ylidene-1H-pyrazole?
The IUPAC name of 4-methylidene-5-propan-2-ylidene-1H-pyrazole (CID 89206771) is 4-methylidene-5-propan-2-ylidene-1H-pyrazole.
What is the SMILES notation for 4-methylidene-5-propan-2-ylidene-1H-pyrazole?
The canonical SMILES for 4-methylidene-5-propan-2-ylidene-1H-pyrazole is C=c1cn[nH]c1=C(C)C.
What is the InChIKey of 4-methylidene-5-propan-2-ylidene-1H-pyrazole?
The InChIKey is QNCHZSKOZNIWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-5(2)7-6(3)4-8-9-7/h4,9H,3H2,1-2H3.
What are the key properties of 4-methylidene-5-propan-2-ylidene-1H-pyrazole?
4-methylidene-5-propan-2-ylidene-1H-pyrazole has a molecular weight of 122.17 g/mol, XLogP of 0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-5-propan-2-ylidene-1H-pyrazole is sourced from PubChem (CID 89206771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).