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

C7H12N2 — CID 58812201

IUPAC4-methyl-3-propan-2-yl-4H-pyrazole
SMILESCC(C)C1=NN=CC1C
InChIInChI=1S/C7H12N2/c1-5(2)7-6(3)4-8-9-7/h4-6H,1-3H3
InChIKeyXBXQTIUYRQVRID-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.72
Rot. Bonds1

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

4-methyl-3-propan-2-yl-4H-pyrazole (PubChem CID 58812201) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 4-methyl-3-propan-2-yl-4H-pyrazole.

Molecular Properties

Compound Name4-methyl-3-propan-2-yl-4H-pyrazole
PubChem CID58812201
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name4-methyl-3-propan-2-yl-4H-pyrazole
SMILESCC(C)C1=NN=CC1C
InChIInChI=1S/C7H12N2/c1-5(2)7-6(3)4-8-9-7/h4-6H,1-3H3
InChIKeyXBXQTIUYRQVRID-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-propan-2-yl-4H-pyrazole?
The IUPAC name of 4-methyl-3-propan-2-yl-4H-pyrazole (CID 58812201) is 4-methyl-3-propan-2-yl-4H-pyrazole.
What is the SMILES notation for 4-methyl-3-propan-2-yl-4H-pyrazole?
The canonical SMILES for 4-methyl-3-propan-2-yl-4H-pyrazole is CC(C)C1=NN=CC1C.
What is the InChIKey of 4-methyl-3-propan-2-yl-4H-pyrazole?
The InChIKey is XBXQTIUYRQVRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-5(2)7-6(3)4-8-9-7/h4-6H,1-3H3.
What are the key properties of 4-methyl-3-propan-2-yl-4H-pyrazole?
4-methyl-3-propan-2-yl-4H-pyrazole has a molecular weight of 124.19 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-propan-2-yl-4H-pyrazole is sourced from PubChem (CID 58812201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).