1-propan-2-yl-4-propylpyrazole

C9H16N2 — CID 89030943

IUPAC1-propan-2-yl-4-propylpyrazole
SMILESCCCc1cnn(C(C)C)c1
InChIInChI=1S/C9H16N2/c1-4-5-9-6-10-11(7-9)8(2)3/h6-8H,4-5H2,1-3H3
InChIKeyHGPZFYWDWMCXIH-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.42
Rot. Bonds3

About 1-propan-2-yl-4-propylpyrazole

1-propan-2-yl-4-propylpyrazole (PubChem CID 89030943) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-propan-2-yl-4-propylpyrazole.

Molecular Properties

Compound Name1-propan-2-yl-4-propylpyrazole
PubChem CID89030943
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-propan-2-yl-4-propylpyrazole
SMILESCCCc1cnn(C(C)C)c1
InChIInChI=1S/C9H16N2/c1-4-5-9-6-10-11(7-9)8(2)3/h6-8H,4-5H2,1-3H3
InChIKeyHGPZFYWDWMCXIH-UHFFFAOYSA-N
XLogP2.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-propylpyrazole?
The IUPAC name of 1-propan-2-yl-4-propylpyrazole (CID 89030943) is 1-propan-2-yl-4-propylpyrazole.
What is the SMILES notation for 1-propan-2-yl-4-propylpyrazole?
The canonical SMILES for 1-propan-2-yl-4-propylpyrazole is CCCc1cnn(C(C)C)c1.
What is the InChIKey of 1-propan-2-yl-4-propylpyrazole?
The InChIKey is HGPZFYWDWMCXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-5-9-6-10-11(7-9)8(2)3/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-propan-2-yl-4-propylpyrazole?
1-propan-2-yl-4-propylpyrazole has a molecular weight of 152.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-propylpyrazole is sourced from PubChem (CID 89030943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).