(3,5-dianilinopyrazol-1-yl)-(3-methoxyphenyl)methanone

C23H20N4O2 — CID 121238381

IUPAC(3,5-dianilinopyrazol-1-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)n2nc(Nc3ccccc3)cc2Nc2ccccc2)c1
InChIInChI=1S/C23H20N4O2/c1-29-20-14-8-9-17(15-20)23(28)27-22(25-19-12-6-3-7-13-19)16-21(26-27)24-18-10-4-2-5-11-18/h2-16,25H,1H3,(H,24,26)
InChIKeyHKWDZKQZKRQQSR-UHFFFAOYSA-N
MW384.44 g/mol
LogP5.07
Rot. Bonds6

About (3,5-dianilinopyrazol-1-yl)-(3-methoxyphenyl)methanone

(3,5-dianilinopyrazol-1-yl)-(3-methoxyphenyl)methanone (PubChem CID 121238381) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is (3,5-dianilinopyrazol-1-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3,5-dianilinopyrazol-1-yl)-(3-methoxyphenyl)methanone
PubChem CID121238381
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name(3,5-dianilinopyrazol-1-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)n2nc(Nc3ccccc3)cc2Nc2ccccc2)c1
InChIInChI=1S/C23H20N4O2/c1-29-20-14-8-9-17(15-20)23(28)27-22(25-19-12-6-3-7-13-19)16-21(26-27)24-18-10-4-2-5-11-18/h2-16,25H,1H3,(H,24,26)
InChIKeyHKWDZKQZKRQQSR-UHFFFAOYSA-N
XLogP5.07
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3,5-bis(4-methoxyanilino)pyrazol-1-yl]-phenylmethanone
CID 121238403
(3,5-dianilinopyrazol-1-yl)-(furan-2-yl)methanone
CID 121238337
[3,5-bis(2-methoxyanilino)pyrazol-1-yl]-(3-chlorophenyl)methanone
CID 121238430
1-(3,5-dianilinopyrazol-1-yl)butan-1-one
CID 121238385
[3,5-bis(4-ethoxyanilino)pyrazol-1-yl]-(2-methoxyphenyl)methanone
CID 121238439
(Z)-2-amino-3-anilino-1-(3-methoxyphenyl)prop-2-en-1-one
CID 71097759
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-methoxybenzamide
CID 122296586
1-(4-methoxyphenyl)sulfonyl-3-N,5-N-diphenylpyrazole-3,5-diamine
CID 121238392
3-[[6-(3-methoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193145
[5-(2-fluorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-(3-methoxyphenyl)methanone
CID 770874
4-[[2-(3-methoxyanilino)-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194354
N-[6-(3,4-dimethylanilino)pyridazin-3-yl]-3-methoxybenzamide
CID 113046357

Frequently Asked Questions

What is the IUPAC name of (3,5-dianilinopyrazol-1-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (3,5-dianilinopyrazol-1-yl)-(3-methoxyphenyl)methanone (CID 121238381) is (3,5-dianilinopyrazol-1-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (3,5-dianilinopyrazol-1-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (3,5-dianilinopyrazol-1-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)n2nc(Nc3ccccc3)cc2Nc2ccccc2)c1.
What is the InChIKey of (3,5-dianilinopyrazol-1-yl)-(3-methoxyphenyl)methanone?
The InChIKey is HKWDZKQZKRQQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-29-20-14-8-9-17(15-20)23(28)27-22(25-19-12-6-3-7-13-19)16-21(26-27)24-18-10-4-2-5-11-18/h2-16,25H,1H3,(H,24,26).
What are the key properties of (3,5-dianilinopyrazol-1-yl)-(3-methoxyphenyl)methanone?
(3,5-dianilinopyrazol-1-yl)-(3-methoxyphenyl)methanone has a molecular weight of 384.44 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dianilinopyrazol-1-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 121238381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).