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

C7H10N2 — CID 90733317

IUPAC5-methylidene-4-propan-2-ylidene-1H-pyrazole
SMILESC=c1[nH]ncc1=C(C)C
InChIInChI=1S/C7H10N2/c1-5(2)7-4-8-9-6(7)3/h4,9H,3H2,1-2H3
InChIKeyMPAMFIRKNKASRZ-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.01
Rot. Bonds

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

5-methylidene-4-propan-2-ylidene-1H-pyrazole (PubChem CID 90733317) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 5-methylidene-4-propan-2-ylidene-1H-pyrazole.

Molecular Properties

Compound Name5-methylidene-4-propan-2-ylidene-1H-pyrazole
PubChem CID90733317
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name5-methylidene-4-propan-2-ylidene-1H-pyrazole
SMILESC=c1[nH]ncc1=C(C)C
InChIInChI=1S/C7H10N2/c1-5(2)7-4-8-9-6(7)3/h4,9H,3H2,1-2H3
InChIKeyMPAMFIRKNKASRZ-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 5-methylidene-4-propan-2-ylidene-1H-pyrazole?
The IUPAC name of 5-methylidene-4-propan-2-ylidene-1H-pyrazole (CID 90733317) is 5-methylidene-4-propan-2-ylidene-1H-pyrazole.
What is the SMILES notation for 5-methylidene-4-propan-2-ylidene-1H-pyrazole?
The canonical SMILES for 5-methylidene-4-propan-2-ylidene-1H-pyrazole is C=c1[nH]ncc1=C(C)C.
What is the InChIKey of 5-methylidene-4-propan-2-ylidene-1H-pyrazole?
The InChIKey is MPAMFIRKNKASRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-5(2)7-4-8-9-6(7)3/h4,9H,3H2,1-2H3.
What are the key properties of 5-methylidene-4-propan-2-ylidene-1H-pyrazole?
5-methylidene-4-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 5-methylidene-4-propan-2-ylidene-1H-pyrazole is sourced from PubChem (CID 90733317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).