(4-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)-phenylmethanone

C20H16N2O — CID 2728992

IUPAC(4-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)-phenylmethanone
SMILESO=C(C1=NNCC1c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C20H16N2O/c23-20(15-8-2-1-3-9-15)19-18(13-21-22-19)17-12-6-10-14-7-4-5-11-16(14)17/h1-12,18,21H,13H2
InChIKeyVYKHORONHATJQK-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.77
Rot. Bonds3

About (4-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)-phenylmethanone

(4-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)-phenylmethanone (PubChem CID 2728992) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is (4-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)-phenylmethanone
PubChem CID2728992
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name(4-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)-phenylmethanone
SMILESO=C(C1=NNCC1c1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C20H16N2O/c23-20(15-8-2-1-3-9-15)19-18(13-21-22-19)17-12-6-10-14-7-4-5-11-16(14)17/h1-12,18,21H,13H2
InChIKeyVYKHORONHATJQK-UHFFFAOYSA-N
XLogP3.77
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)-phenylmethanone?
The IUPAC name of (4-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)-phenylmethanone (CID 2728992) is (4-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)-phenylmethanone.
What is the SMILES notation for (4-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)-phenylmethanone?
The canonical SMILES for (4-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)-phenylmethanone is O=C(C1=NNCC1c1cccc2ccccc12)c1ccccc1.
What is the InChIKey of (4-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)-phenylmethanone?
The InChIKey is VYKHORONHATJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c23-20(15-8-2-1-3-9-15)19-18(13-21-22-19)17-12-6-10-14-7-4-5-11-16(14)17/h1-12,18,21H,13H2.
What are the key properties of (4-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)-phenylmethanone?
(4-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)-phenylmethanone has a molecular weight of 300.36 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)-phenylmethanone is sourced from PubChem (CID 2728992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).