5-methyl-4-prop-1-en-2-yl-1H-pyrazole

C7H10N2 — CID 70298570

IUPAC5-methyl-4-prop-1-en-2-yl-1H-pyrazole
SMILESC=C(C)c1cn[nH]c1C
InChIInChI=1S/C7H10N2/c1-5(2)7-4-8-9-6(7)3/h4H,1H2,2-3H3,(H,8,9)
InChIKeySZQGULMWEJODGU-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.75
Rot. Bonds1

About 5-methyl-4-prop-1-en-2-yl-1H-pyrazole

5-methyl-4-prop-1-en-2-yl-1H-pyrazole (PubChem CID 70298570) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 5-methyl-4-prop-1-en-2-yl-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-4-prop-1-en-2-yl-1H-pyrazole
PubChem CID70298570
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name5-methyl-4-prop-1-en-2-yl-1H-pyrazole
SMILESC=C(C)c1cn[nH]c1C
InChIInChI=1S/C7H10N2/c1-5(2)7-4-8-9-6(7)3/h4H,1H2,2-3H3,(H,8,9)
InChIKeySZQGULMWEJODGU-UHFFFAOYSA-N
XLogP1.75
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-prop-1-en-2-yl-1H-pyrazole?
The IUPAC name of 5-methyl-4-prop-1-en-2-yl-1H-pyrazole (CID 70298570) is 5-methyl-4-prop-1-en-2-yl-1H-pyrazole.
What is the SMILES notation for 5-methyl-4-prop-1-en-2-yl-1H-pyrazole?
The canonical SMILES for 5-methyl-4-prop-1-en-2-yl-1H-pyrazole is C=C(C)c1cn[nH]c1C.
What is the InChIKey of 5-methyl-4-prop-1-en-2-yl-1H-pyrazole?
The InChIKey is SZQGULMWEJODGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-5(2)7-4-8-9-6(7)3/h4H,1H2,2-3H3,(H,8,9).
What are the key properties of 5-methyl-4-prop-1-en-2-yl-1H-pyrazole?
5-methyl-4-prop-1-en-2-yl-1H-pyrazole has a molecular weight of 122.17 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-prop-1-en-2-yl-1H-pyrazole is sourced from PubChem (CID 70298570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).