(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone

C29H22N2O2 — CID 10884492

IUPAC(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
SMILESCOc1ccc(C(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C29H22N2O2/c1-33-25-19-17-23(18-20-25)29(32)26-27(21-11-5-2-6-12-21)30-31(24-15-9-4-10-16-24)28(26)22-13-7-3-8-14-22/h2-20H,1H3
InChIKeyKJCDXCIWEQFESD-UHFFFAOYSA-N
MW430.51 g/mol
LogP6.45
Rot. Bonds6

About (4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone

(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone (PubChem CID 10884492) has the molecular formula C29H22N2O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is (4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
PubChem CID10884492
Molecular FormulaC29H22N2O2
Molecular Weight430.51 g/mol
Exact Mass430.17
IUPAC Name(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
SMILESCOc1ccc(C(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C29H22N2O2/c1-33-25-19-17-23(18-20-25)29(32)26-27(21-11-5-2-6-12-21)30-31(24-15-9-4-10-16-24)28(26)22-13-7-3-8-14-22/h2-20H,1H3
InChIKeyKJCDXCIWEQFESD-UHFFFAOYSA-N
XLogP6.45
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 15197844
4-(4-methoxybenzoyl)-2,5-diphenylpyrazole-3-carbonitrile
CID 154708815
3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3849112
5-chloro-1-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxylic acid
CID 82364034
4-ethyl-1-(4-methoxyphenyl)-3,5-diphenylpyrazole
CID 10808049
4-ethyl-3,5-bis(4-methoxyphenyl)-1-phenylpyrazole
CID 19586817
1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole
CID 56589754
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 101091522
4-methoxy-1,3,5-triphenylpyrazole
CID 21489465
1,3-bis(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3816890
1-(4-methoxyphenyl)-3-(4-phenylphenyl)-5-propylpyrazole-4-carboxylic acid
CID 3844950
4-(4-methoxyphenyl)-3,6-diphenylpyrazolo[4,5-d][1,2]oxazole
CID 172991391

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone (CID 10884492) is (4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone is COc1ccc(C(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone?
The InChIKey is KJCDXCIWEQFESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O2/c1-33-25-19-17-23(18-20-25)29(32)26-27(21-11-5-2-6-12-21)30-31(24-15-9-4-10-16-24)28(26)22-13-7-3-8-14-22/h2-20H,1H3.
What are the key properties of (4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone?
(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone has a molecular weight of 430.51 g/mol, XLogP of 6.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone is sourced from PubChem (CID 10884492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).