4,5-dimethyl-3-propan-2-yl-1H-pyrazole

C8H14N2 — CID 2753108

IUPAC4,5-dimethyl-3-propan-2-yl-1H-pyrazole
SMILESCc1[nH]nc(C(C)C)c1C
InChIInChI=1S/C8H14N2/c1-5(2)8-6(3)7(4)9-10-8/h5H,1-4H3,(H,9,10)
InChIKeyHYHPPGBJHXKDLU-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.15
Rot. Bonds1

About 4,5-dimethyl-3-propan-2-yl-1H-pyrazole

4,5-dimethyl-3-propan-2-yl-1H-pyrazole (PubChem CID 2753108) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 4,5-dimethyl-3-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Name4,5-dimethyl-3-propan-2-yl-1H-pyrazole
PubChem CID2753108
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name4,5-dimethyl-3-propan-2-yl-1H-pyrazole
SMILESCc1[nH]nc(C(C)C)c1C
InChIInChI=1S/C8H14N2/c1-5(2)8-6(3)7(4)9-10-8/h5H,1-4H3,(H,9,10)
InChIKeyHYHPPGBJHXKDLU-UHFFFAOYSA-N
XLogP2.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-propan-2-yl-1H-pyrazole?
The IUPAC name of 4,5-dimethyl-3-propan-2-yl-1H-pyrazole (CID 2753108) is 4,5-dimethyl-3-propan-2-yl-1H-pyrazole.
What is the SMILES notation for 4,5-dimethyl-3-propan-2-yl-1H-pyrazole?
The canonical SMILES for 4,5-dimethyl-3-propan-2-yl-1H-pyrazole is Cc1[nH]nc(C(C)C)c1C.
What is the InChIKey of 4,5-dimethyl-3-propan-2-yl-1H-pyrazole?
The InChIKey is HYHPPGBJHXKDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-5(2)8-6(3)7(4)9-10-8/h5H,1-4H3,(H,9,10).
What are the key properties of 4,5-dimethyl-3-propan-2-yl-1H-pyrazole?
4,5-dimethyl-3-propan-2-yl-1H-pyrazole has a molecular weight of 138.21 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 2753108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).