2-phenyl-3,4-dihydropyrazole

C9H10N2 — CID 589611

IUPAC2-phenyl-3,4-dihydropyrazole
SMILESC1=NN(c2ccccc2)CC1
InChIInChI=1S/C9H10N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h1-3,5-7H,4,8H2
InChIKeyIUHNMXNPPUIQHZ-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.88
Rot. Bonds1

About 2-phenyl-3,4-dihydropyrazole

2-phenyl-3,4-dihydropyrazole (PubChem CID 589611) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-phenyl-3,4-dihydropyrazole
PubChem CID589611
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2-phenyl-3,4-dihydropyrazole
SMILESC1=NN(c2ccccc2)CC1
InChIInChI=1S/C9H10N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h1-3,5-7H,4,8H2
InChIKeyIUHNMXNPPUIQHZ-UHFFFAOYSA-N
XLogP1.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 2-phenyl-3,4-dihydropyrazole (CID 589611) is 2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 2-phenyl-3,4-dihydropyrazole is C1=NN(c2ccccc2)CC1.
What is the InChIKey of 2-phenyl-3,4-dihydropyrazole?
The InChIKey is IUHNMXNPPUIQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h1-3,5-7H,4,8H2.
What are the key properties of 2-phenyl-3,4-dihydropyrazole?
2-phenyl-3,4-dihydropyrazole has a molecular weight of 146.19 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 589611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).