1-(3,5-dianilinopyrazol-1-yl)butan-1-one

C19H20N4O — CID 121238385

IUPAC1-(3,5-dianilinopyrazol-1-yl)butan-1-one
SMILESCCCC(=O)n1nc(Nc2ccccc2)cc1Nc1ccccc1
InChIInChI=1S/C19H20N4O/c1-2-9-19(24)23-18(21-16-12-7-4-8-13-16)14-17(22-23)20-15-10-5-3-6-11-15/h3-8,10-14,21H,2,9H2,1H3,(H,20,22)
InChIKeyCDYXHOKVUXUECP-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.81
Rot. Bonds6

About 1-(3,5-dianilinopyrazol-1-yl)butan-1-one

1-(3,5-dianilinopyrazol-1-yl)butan-1-one (PubChem CID 121238385) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-(3,5-dianilinopyrazol-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(3,5-dianilinopyrazol-1-yl)butan-1-one
PubChem CID121238385
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-(3,5-dianilinopyrazol-1-yl)butan-1-one
SMILESCCCC(=O)n1nc(Nc2ccccc2)cc1Nc1ccccc1
InChIInChI=1S/C19H20N4O/c1-2-9-19(24)23-18(21-16-12-7-4-8-13-16)14-17(22-23)20-15-10-5-3-6-11-15/h3-8,10-14,21H,2,9H2,1H3,(H,20,22)
InChIKeyCDYXHOKVUXUECP-UHFFFAOYSA-N
XLogP4.81
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dianilinopyrazol-1-yl)-(furan-2-yl)methanone
CID 121238337
[3,5-bis(4-methoxyanilino)pyrazol-1-yl]-phenylmethanone
CID 121238403
(3,5-dianilinopyrazol-1-yl)-(3-methoxyphenyl)methanone
CID 121238381
[3,5-bis(4-ethoxyanilino)pyrazol-1-yl]-(2-methoxyphenyl)methanone
CID 121238439
1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 7178098
1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea
CID 122296681
6-anilino-N-[4-(diethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112847912
1-(3-amino-5-phenylpyrazol-1-yl)butan-1-one
CID 110868180
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]butanamide
CID 50748313
1-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-phenylurea
CID 42474616
1-(5-amino-3-phenyl-1,2,4-triazol-1-yl)butan-1-one
CID 828601
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]butanamide
CID 122324029

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dianilinopyrazol-1-yl)butan-1-one?
The IUPAC name of 1-(3,5-dianilinopyrazol-1-yl)butan-1-one (CID 121238385) is 1-(3,5-dianilinopyrazol-1-yl)butan-1-one.
What is the SMILES notation for 1-(3,5-dianilinopyrazol-1-yl)butan-1-one?
The canonical SMILES for 1-(3,5-dianilinopyrazol-1-yl)butan-1-one is CCCC(=O)n1nc(Nc2ccccc2)cc1Nc1ccccc1.
What is the InChIKey of 1-(3,5-dianilinopyrazol-1-yl)butan-1-one?
The InChIKey is CDYXHOKVUXUECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-2-9-19(24)23-18(21-16-12-7-4-8-13-16)14-17(22-23)20-15-10-5-3-6-11-15/h3-8,10-14,21H,2,9H2,1H3,(H,20,22).
What are the key properties of 1-(3,5-dianilinopyrazol-1-yl)butan-1-one?
1-(3,5-dianilinopyrazol-1-yl)butan-1-one has a molecular weight of 320.40 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dianilinopyrazol-1-yl)butan-1-one is sourced from PubChem (CID 121238385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).