1-phenyl-3-propylpyrazole

C12H14N2 — CID 57320331

IUPAC1-phenyl-3-propylpyrazole
SMILESCCCc1ccn(-c2ccccc2)n1
InChIInChI=1S/C12H14N2/c1-2-6-11-9-10-14(13-11)12-7-4-3-5-8-12/h3-5,7-10H,2,6H2,1H3
InChIKeyZHVUSSKUCZSPFQ-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.82
Rot. Bonds3

About 1-phenyl-3-propylpyrazole

1-phenyl-3-propylpyrazole (PubChem CID 57320331) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-phenyl-3-propylpyrazole.

Molecular Properties

Compound Name1-phenyl-3-propylpyrazole
PubChem CID57320331
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-phenyl-3-propylpyrazole
SMILESCCCc1ccn(-c2ccccc2)n1
InChIInChI=1S/C12H14N2/c1-2-6-11-9-10-14(13-11)12-7-4-3-5-8-12/h3-5,7-10H,2,6H2,1H3
InChIKeyZHVUSSKUCZSPFQ-UHFFFAOYSA-N
XLogP2.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-propylpyrazole?
The IUPAC name of 1-phenyl-3-propylpyrazole (CID 57320331) is 1-phenyl-3-propylpyrazole.
What is the SMILES notation for 1-phenyl-3-propylpyrazole?
The canonical SMILES for 1-phenyl-3-propylpyrazole is CCCc1ccn(-c2ccccc2)n1.
What is the InChIKey of 1-phenyl-3-propylpyrazole?
The InChIKey is ZHVUSSKUCZSPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-6-11-9-10-14(13-11)12-7-4-3-5-8-12/h3-5,7-10H,2,6H2,1H3.
What are the key properties of 1-phenyl-3-propylpyrazole?
1-phenyl-3-propylpyrazole has a molecular weight of 186.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-propylpyrazole is sourced from PubChem (CID 57320331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).