3-propan-2-yl-5-propyl-1H-pyrazole

C9H16N2 — CID 45095856

IUPAC3-propan-2-yl-5-propyl-1H-pyrazole
SMILESCCCc1cc(C(C)C)n[nH]1
InChIInChI=1S/C9H16N2/c1-4-5-8-6-9(7(2)3)11-10-8/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyGYAWDICGIDXLDJ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.49
Rot. Bonds3

About 3-propan-2-yl-5-propyl-1H-pyrazole

3-propan-2-yl-5-propyl-1H-pyrazole (PubChem CID 45095856) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-propan-2-yl-5-propyl-1H-pyrazole.

Molecular Properties

Compound Name3-propan-2-yl-5-propyl-1H-pyrazole
PubChem CID45095856
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-propan-2-yl-5-propyl-1H-pyrazole
SMILESCCCc1cc(C(C)C)n[nH]1
InChIInChI=1S/C9H16N2/c1-4-5-8-6-9(7(2)3)11-10-8/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyGYAWDICGIDXLDJ-UHFFFAOYSA-N
XLogP2.49
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-propyl-1H-pyrazole?
The IUPAC name of 3-propan-2-yl-5-propyl-1H-pyrazole (CID 45095856) is 3-propan-2-yl-5-propyl-1H-pyrazole.
What is the SMILES notation for 3-propan-2-yl-5-propyl-1H-pyrazole?
The canonical SMILES for 3-propan-2-yl-5-propyl-1H-pyrazole is CCCc1cc(C(C)C)n[nH]1.
What is the InChIKey of 3-propan-2-yl-5-propyl-1H-pyrazole?
The InChIKey is GYAWDICGIDXLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-5-8-6-9(7(2)3)11-10-8/h6-7H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 3-propan-2-yl-5-propyl-1H-pyrazole?
3-propan-2-yl-5-propyl-1H-pyrazole has a molecular weight of 152.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-propyl-1H-pyrazole is sourced from PubChem (CID 45095856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).