2-(4-methylpyrazol-1-yl)-1-[4-(2-morpholin-4-ylethyl)-1,4-diazepan-1-yl]propan-1-one

C18H31N5O2 — CID 134713768

IUPAC2-(4-methylpyrazol-1-yl)-1-[4-(2-morpholin-4-ylethyl)-1,4-diazepan-1-yl]propan-1-one
SMILESCc1cnn(C(C)C(=O)N2CCCN(CCN3CCOCC3)CC2)c1
InChIInChI=1S/C18H31N5O2/c1-16-14-19-23(15-16)17(2)18(24)22-5-3-4-20(8-9-22)6-7-21-10-12-25-13-11-21/h14-15,17H,3-13H2,1-2H3
InChIKeyWIJVYWPTHADYFG-UHFFFAOYSA-N
MW349.48 g/mol
LogP0.62
Rot. Bonds5

About 2-(4-methylpyrazol-1-yl)-1-[4-(2-morpholin-4-ylethyl)-1,4-diazepan-1-yl]propan-1-one

2-(4-methylpyrazol-1-yl)-1-[4-(2-morpholin-4-ylethyl)-1,4-diazepan-1-yl]propan-1-one (PubChem CID 134713768) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-(4-methylpyrazol-1-yl)-1-[4-(2-morpholin-4-ylethyl)-1,4-diazepan-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-methylpyrazol-1-yl)-1-[4-(2-morpholin-4-ylethyl)-1,4-diazepan-1-yl]propan-1-one
PubChem CID134713768
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name2-(4-methylpyrazol-1-yl)-1-[4-(2-morpholin-4-ylethyl)-1,4-diazepan-1-yl]propan-1-one
SMILESCc1cnn(C(C)C(=O)N2CCCN(CCN3CCOCC3)CC2)c1
InChIInChI=1S/C18H31N5O2/c1-16-14-19-23(15-16)17(2)18(24)22-5-3-4-20(8-9-22)6-7-21-10-12-25-13-11-21/h14-15,17H,3-13H2,1-2H3
InChIKeyWIJVYWPTHADYFG-UHFFFAOYSA-N
XLogP0.62
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-methylpyrazol-1-yl)-1-[4-(2-morpholin-4-ylethyl)-1,4-diazepan-1-yl]propan-1-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

1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
CID 19536190
4-[4-[2-(4-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 134695662
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
(2S)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 97277363
(2R)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 98765633
2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylpropan-1-one
CID 43116728
1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
CID 56880084
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one
CID 43252712
1-[(3,5-dimethylphenyl)methyl]-4-[(2S)-2-(4-methylpyrazol-1-yl)propanoyl]piperazin-2-one
CID 96576364
1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
CID 70720201
(2S)-2-imidazol-1-yl-1-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 95978214

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrazol-1-yl)-1-[4-(2-morpholin-4-ylethyl)-1,4-diazepan-1-yl]propan-1-one?
The IUPAC name of 2-(4-methylpyrazol-1-yl)-1-[4-(2-morpholin-4-ylethyl)-1,4-diazepan-1-yl]propan-1-one (CID 134713768) is 2-(4-methylpyrazol-1-yl)-1-[4-(2-morpholin-4-ylethyl)-1,4-diazepan-1-yl]propan-1-one.
What is the SMILES notation for 2-(4-methylpyrazol-1-yl)-1-[4-(2-morpholin-4-ylethyl)-1,4-diazepan-1-yl]propan-1-one?
The canonical SMILES for 2-(4-methylpyrazol-1-yl)-1-[4-(2-morpholin-4-ylethyl)-1,4-diazepan-1-yl]propan-1-one is Cc1cnn(C(C)C(=O)N2CCCN(CCN3CCOCC3)CC2)c1.
What is the InChIKey of 2-(4-methylpyrazol-1-yl)-1-[4-(2-morpholin-4-ylethyl)-1,4-diazepan-1-yl]propan-1-one?
The InChIKey is WIJVYWPTHADYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-16-14-19-23(15-16)17(2)18(24)22-5-3-4-20(8-9-22)6-7-21-10-12-25-13-11-21/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 2-(4-methylpyrazol-1-yl)-1-[4-(2-morpholin-4-ylethyl)-1,4-diazepan-1-yl]propan-1-one?
2-(4-methylpyrazol-1-yl)-1-[4-(2-morpholin-4-ylethyl)-1,4-diazepan-1-yl]propan-1-one has a molecular weight of 349.48 g/mol, XLogP of 0.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrazol-1-yl)-1-[4-(2-morpholin-4-ylethyl)-1,4-diazepan-1-yl]propan-1-one is sourced from PubChem (CID 134713768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).