4-[4-[2-(4-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-1-carbonyl]-1,3-dihydroimidazol-2-one

C16H22N6O3 — CID 134695662

IUPAC4-[4-[2-(4-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESCc1cnn(C(C)C(=O)N2CCCN(C(=O)c3c[nH]c(=O)[nH]3)CC2)c1
InChIInChI=1S/C16H22N6O3/c1-11-8-18-22(10-11)12(2)14(23)20-4-3-5-21(7-6-20)15(24)13-9-17-16(25)19-13/h8-10,12H,3-7H2,1-2H3,(H2,17,19,25)
InChIKeyJFOVYYDQPZEQTL-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.14
Rot. Bonds3

About 4-[4-[2-(4-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-1-carbonyl]-1,3-dihydroimidazol-2-one

4-[4-[2-(4-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-1-carbonyl]-1,3-dihydroimidazol-2-one (PubChem CID 134695662) has the molecular formula C16H22N6O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-[4-[2-(4-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-1-carbonyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[4-[2-(4-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-1-carbonyl]-1,3-dihydroimidazol-2-one
PubChem CID134695662
Molecular FormulaC16H22N6O3
Molecular Weight346.39 g/mol
Exact Mass346.18
IUPAC Name4-[4-[2-(4-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESCc1cnn(C(C)C(=O)N2CCCN(C(=O)c3c[nH]c(=O)[nH]3)CC2)c1
InChIInChI=1S/C16H22N6O3/c1-11-8-18-22(10-11)12(2)14(23)20-4-3-5-21(7-6-20)15(24)13-9-17-16(25)19-13/h8-10,12H,3-7H2,1-2H3,(H2,17,19,25)
InChIKeyJFOVYYDQPZEQTL-UHFFFAOYSA-N
XLogP0.14
TPSA107.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-[2-(4-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-1-carbonyl]-1,3-dihydroimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylpyrazol-1-yl)-1-[4-(2-morpholin-4-ylethyl)-1,4-diazepan-1-yl]propan-1-one
CID 134713768
1-(aziridin-1-yl)-2-(4-bromopyrazol-1-yl)propan-1-one
CID 130734809
2-(4-hydroxypyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 155928497
2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylpropan-1-one
CID 43116728
(2S)-1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
CID 95881202
1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
CID 70756164
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
CID 19536190
4-[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]-1,3-dihydroimidazol-2-one
CID 99974530
1-[(3,5-dimethylphenyl)methyl]-4-[(2S)-2-(4-methylpyrazol-1-yl)propanoyl]piperazin-2-one
CID 96576364
(2R)-1-[2-(methylamino)-4-(pyrrolidine-1-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
CID 97190128
1-(4-methoxyphenyl)-4-[2-(4-methylpyrazol-1-yl)propanoyl]piperazin-2-one
CID 70763294
(2R)-2-(4-chloropyrazol-1-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)propan-1-one
CID 125174163

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-1-carbonyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[4-[2-(4-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-1-carbonyl]-1,3-dihydroimidazol-2-one (CID 134695662) is 4-[4-[2-(4-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-1-carbonyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[4-[2-(4-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-1-carbonyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[4-[2-(4-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-1-carbonyl]-1,3-dihydroimidazol-2-one is Cc1cnn(C(C)C(=O)N2CCCN(C(=O)c3c[nH]c(=O)[nH]3)CC2)c1.
What is the InChIKey of 4-[4-[2-(4-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-1-carbonyl]-1,3-dihydroimidazol-2-one?
The InChIKey is JFOVYYDQPZEQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3/c1-11-8-18-22(10-11)12(2)14(23)20-4-3-5-21(7-6-20)15(24)13-9-17-16(25)19-13/h8-10,12H,3-7H2,1-2H3,(H2,17,19,25).
What are the key properties of 4-[4-[2-(4-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-1-carbonyl]-1,3-dihydroimidazol-2-one?
4-[4-[2-(4-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-1-carbonyl]-1,3-dihydroimidazol-2-one has a molecular weight of 346.39 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-1-carbonyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 134695662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).