[4-(5-methyl-1-propylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone

C18H28N4O3 — CID 137339717

IUPAC[4-(5-methyl-1-propylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
SMILESCCCn1ncc(C(=O)N2CCCN(C(=O)C3CCOC3)CC2)c1C
InChIInChI=1S/C18H28N4O3/c1-3-6-22-14(2)16(12-19-22)18(24)21-8-4-7-20(9-10-21)17(23)15-5-11-25-13-15/h12,15H,3-11,13H2,1-2H3
InChIKeyWZUYQHPOJYCSPG-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.31
Rot. Bonds4

About [4-(5-methyl-1-propylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone

[4-(5-methyl-1-propylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone (PubChem CID 137339717) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is [4-(5-methyl-1-propylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[4-(5-methyl-1-propylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
PubChem CID137339717
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name[4-(5-methyl-1-propylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
SMILESCCCn1ncc(C(=O)N2CCCN(C(=O)C3CCOC3)CC2)c1C
InChIInChI=1S/C18H28N4O3/c1-3-6-22-14(2)16(12-19-22)18(24)21-8-4-7-20(9-10-21)17(23)15-5-11-25-13-15/h12,15H,3-11,13H2,1-2H3
InChIKeyWZUYQHPOJYCSPG-UHFFFAOYSA-N
XLogP1.31
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(5-methyl-1-propylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone with MolForge

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Related Compounds

[4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 97133362
cyclopentyl-[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 135112462
[2-[(dimethylamino)methyl]piperidin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 110226329
(5-methyl-1-propylpyrazol-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 72866375
[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 135090278
N-(1,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 137342205
(1-methylimidazol-2-yl)-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 95125513
(3S)-N-(3-hydroxypropyl)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidine-3-carboxamide
CID 97153259
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 72887191
1-[4-[4-(5-methyl-1-propylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 72849446
(2R)-1-(5-methyl-1-propylpyrazole-4-carbonyl)azetidine-2-carboxylic acid
CID 97274134
2-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)pyrrolidin-3-yl]benzoic acid
CID 95709553

Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-1-propylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [4-(5-methyl-1-propylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone (CID 137339717) is [4-(5-methyl-1-propylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [4-(5-methyl-1-propylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [4-(5-methyl-1-propylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone is CCCn1ncc(C(=O)N2CCCN(C(=O)C3CCOC3)CC2)c1C.
What is the InChIKey of [4-(5-methyl-1-propylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone?
The InChIKey is WZUYQHPOJYCSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-3-6-22-14(2)16(12-19-22)18(24)21-8-4-7-20(9-10-21)17(23)15-5-11-25-13-15/h12,15H,3-11,13H2,1-2H3.
What are the key properties of [4-(5-methyl-1-propylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone?
[4-(5-methyl-1-propylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone has a molecular weight of 348.45 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-1-propylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 137339717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).