5-methyl-4-propan-2-yl-3H-pyrazole

C7H12N2 — CID 59334734

IUPAC5-methyl-4-propan-2-yl-3H-pyrazole
SMILESCC1=C(C(C)C)CN=N1
InChIInChI=1S/C7H12N2/c1-5(2)7-4-8-9-6(7)3/h5H,4H2,1-3H3
InChIKeyJWQATSZFIKLOAY-UHFFFAOYSA-N
MW124.19 g/mol
LogP2.38
Rot. Bonds1

About 5-methyl-4-propan-2-yl-3H-pyrazole

5-methyl-4-propan-2-yl-3H-pyrazole (PubChem CID 59334734) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 5-methyl-4-propan-2-yl-3H-pyrazole.

Molecular Properties

Compound Name5-methyl-4-propan-2-yl-3H-pyrazole
PubChem CID59334734
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name5-methyl-4-propan-2-yl-3H-pyrazole
SMILESCC1=C(C(C)C)CN=N1
InChIInChI=1S/C7H12N2/c1-5(2)7-4-8-9-6(7)3/h5H,4H2,1-3H3
InChIKeyJWQATSZFIKLOAY-UHFFFAOYSA-N
XLogP2.38
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-propan-2-yl-3H-pyrazole?
The IUPAC name of 5-methyl-4-propan-2-yl-3H-pyrazole (CID 59334734) is 5-methyl-4-propan-2-yl-3H-pyrazole.
What is the SMILES notation for 5-methyl-4-propan-2-yl-3H-pyrazole?
The canonical SMILES for 5-methyl-4-propan-2-yl-3H-pyrazole is CC1=C(C(C)C)CN=N1.
What is the InChIKey of 5-methyl-4-propan-2-yl-3H-pyrazole?
The InChIKey is JWQATSZFIKLOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-5(2)7-4-8-9-6(7)3/h5H,4H2,1-3H3.
What are the key properties of 5-methyl-4-propan-2-yl-3H-pyrazole?
5-methyl-4-propan-2-yl-3H-pyrazole has a molecular weight of 124.19 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-propan-2-yl-3H-pyrazole is sourced from PubChem (CID 59334734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).