4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(5-oxo-1,4-dihydroimidazol-2-yl)benzamide

C14H15N5O2 — CID 51089713

IUPAC4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(5-oxo-1,4-dihydroimidazol-2-yl)benzamide
SMILESCC1=NN(c2ccc(C(=O)NC3=NCC(=O)N3)cc2)CC1
InChIInChI=1S/C14H15N5O2/c1-9-6-7-19(18-9)11-4-2-10(3-5-11)13(21)17-14-15-8-12(20)16-14/h2-5H,6-8H2,1H3,(H2,15,16,17,20,21)
InChIKeyBVJJAKVISJJSMP-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.49
Rot. Bonds2

About 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(5-oxo-1,4-dihydroimidazol-2-yl)benzamide

4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(5-oxo-1,4-dihydroimidazol-2-yl)benzamide (PubChem CID 51089713) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(5-oxo-1,4-dihydroimidazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(5-oxo-1,4-dihydroimidazol-2-yl)benzamide
PubChem CID51089713
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(5-oxo-1,4-dihydroimidazol-2-yl)benzamide
SMILESCC1=NN(c2ccc(C(=O)NC3=NCC(=O)N3)cc2)CC1
InChIInChI=1S/C14H15N5O2/c1-9-6-7-19(18-9)11-4-2-10(3-5-11)13(21)17-14-15-8-12(20)16-14/h2-5H,6-8H2,1H3,(H2,15,16,17,20,21)
InChIKeyBVJJAKVISJJSMP-UHFFFAOYSA-N
XLogP0.49
TPSA86.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 47231516
N-(5-oxo-1,4-dihydroimidazol-2-yl)benzamide
CID 47266240
N-(1,3-benzodioxol-5-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 46487660
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-naphthalen-2-ylbenzamide
CID 78877817
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(2-methylsulfanylethyl)benzamide
CID 167958148
methyl (2R)-2-methyl-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]butanoate
CID 95154683
N-(cyclobutylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 47234524
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 55787559
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 55699746
ethyl (2R)-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]propanoate
CID 94779819
2-cyclopropyl-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]acetic acid
CID 119214072
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 55904017

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(5-oxo-1,4-dihydroimidazol-2-yl)benzamide?
The IUPAC name of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(5-oxo-1,4-dihydroimidazol-2-yl)benzamide (CID 51089713) is 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(5-oxo-1,4-dihydroimidazol-2-yl)benzamide.
What is the SMILES notation for 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(5-oxo-1,4-dihydroimidazol-2-yl)benzamide?
The canonical SMILES for 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(5-oxo-1,4-dihydroimidazol-2-yl)benzamide is CC1=NN(c2ccc(C(=O)NC3=NCC(=O)N3)cc2)CC1.
What is the InChIKey of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(5-oxo-1,4-dihydroimidazol-2-yl)benzamide?
The InChIKey is BVJJAKVISJJSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-9-6-7-19(18-9)11-4-2-10(3-5-11)13(21)17-14-15-8-12(20)16-14/h2-5H,6-8H2,1H3,(H2,15,16,17,20,21).
What are the key properties of 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(5-oxo-1,4-dihydroimidazol-2-yl)benzamide?
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(5-oxo-1,4-dihydroimidazol-2-yl)benzamide has a molecular weight of 285.31 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(5-oxo-1,4-dihydroimidazol-2-yl)benzamide is sourced from PubChem (CID 51089713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).