N-[3-methyl-4-[[5-[4-(4-methylpyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]phenyl]acetamide

C22H22N6O — CID 139405494

IUPACN-[3-methyl-4-[[5-[4-(4-methylpyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(-c3ccc(-n4cc(C)cn4)cc3)[nH]n2)c(C)c1
InChIInChI=1S/C22H22N6O/c1-14-12-23-28(13-14)19-7-4-17(5-8-19)21-11-22(27-26-21)25-20-9-6-18(10-15(20)2)24-16(3)29/h4-13H,1-3H3,(H,24,29)(H2,25,26,27)
InChIKeyXRRONJFDZBLLTN-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.58
Rot. Bonds5

About N-[3-methyl-4-[[5-[4-(4-methylpyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]phenyl]acetamide

N-[3-methyl-4-[[5-[4-(4-methylpyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]phenyl]acetamide (PubChem CID 139405494) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[3-methyl-4-[[5-[4-(4-methylpyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-4-[[5-[4-(4-methylpyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]phenyl]acetamide
PubChem CID139405494
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC NameN-[3-methyl-4-[[5-[4-(4-methylpyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(-c3ccc(-n4cc(C)cn4)cc3)[nH]n2)c(C)c1
InChIInChI=1S/C22H22N6O/c1-14-12-23-28(13-14)19-7-4-17(5-8-19)21-11-22(27-26-21)25-20-9-6-18(10-15(20)2)24-16(3)29/h4-13H,1-3H3,(H,24,29)(H2,25,26,27)
InChIKeyXRRONJFDZBLLTN-UHFFFAOYSA-N
XLogP4.58
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-acetamido-1H-pyrazol-5-yl)phenyl]acetamide
CID 2268930
N-(2-methyl-4-nitrophenyl)-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-amine
CID 139392054
[4-[[5-[4-(2-fluoro-5-methoxyphenyl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenyl]carbamic acid
CID 139391803
2-(dimethylamino)-N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]acetamide
CID 139391901
(Z)-3-(2-methyl-4-nitroanilino)-3-methylsulfanyl-1-(4-pyrazol-1-ylphenyl)prop-2-en-1-one;N-(2-methyl-4-nitrophenyl)-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-amine
CID 159723159
4-(4-methylpyrazol-1-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 49033681
N-[4-[(2-aminopyrimidin-4-yl)amino]-3-methylphenyl]acetamide;hydrochloride
CID 160584950
5-[4-(4-methylpyrazol-1-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117426069
N-[3-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide
CID 154687564
N-(4-acetamido-3-methylphenyl)-5-methyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 146075405
[4-(4-methylpyrazol-1-yl)phenyl]thiourea
CID 169358177
4-methyl-N-[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]-1H-benzimidazol-5-amine
CID 139402374

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[[5-[4-(4-methylpyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-methyl-4-[[5-[4-(4-methylpyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]phenyl]acetamide (CID 139405494) is N-[3-methyl-4-[[5-[4-(4-methylpyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-methyl-4-[[5-[4-(4-methylpyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-methyl-4-[[5-[4-(4-methylpyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2cc(-c3ccc(-n4cc(C)cn4)cc3)[nH]n2)c(C)c1.
What is the InChIKey of N-[3-methyl-4-[[5-[4-(4-methylpyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]phenyl]acetamide?
The InChIKey is XRRONJFDZBLLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-14-12-23-28(13-14)19-7-4-17(5-8-19)21-11-22(27-26-21)25-20-9-6-18(10-15(20)2)24-16(3)29/h4-13H,1-3H3,(H,24,29)(H2,25,26,27).
What are the key properties of N-[3-methyl-4-[[5-[4-(4-methylpyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]phenyl]acetamide?
N-[3-methyl-4-[[5-[4-(4-methylpyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]phenyl]acetamide has a molecular weight of 386.46 g/mol, XLogP of 4.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[[5-[4-(4-methylpyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]phenyl]acetamide is sourced from PubChem (CID 139405494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).