N-(1,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide

C17H27N5O3 — CID 137342205

IUPACN-(1,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide
SMILESCc1c(NC(=O)CN2CCCN(C(=O)C3CCOC3)CC2)cnn1C
InChIInChI=1S/C17H27N5O3/c1-13-15(10-18-20(13)2)19-16(23)11-21-5-3-6-22(8-7-21)17(24)14-4-9-25-12-14/h10,14H,3-9,11-12H2,1-2H3,(H,19,23)
InChIKeyRGQRLHQIMJSEAB-UHFFFAOYSA-N
MW349.44 g/mol
LogP0.24
Rot. Bonds4

About N-(1,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide

N-(1,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 137342205) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide
PubChem CID137342205
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC NameN-(1,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide
SMILESCc1c(NC(=O)CN2CCCN(C(=O)C3CCOC3)CC2)cnn1C
InChIInChI=1S/C17H27N5O3/c1-13-15(10-18-20(13)2)19-16(23)11-21-5-3-6-22(8-7-21)17(24)14-4-9-25-12-14/h10,14H,3-9,11-12H2,1-2H3,(H,19,23)
InChIKeyRGQRLHQIMJSEAB-UHFFFAOYSA-N
XLogP0.24
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 131905064
N-(1,5-dimethylpyrazol-4-yl)-2-(oxan-3-yl)acetamide
CID 134702628
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
CID 55204831
2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 137338425
N-[2-(4-fluorophenyl)ethyl]-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 137334203
2-[4-(oxolane-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 86850684
[4-(5-methyl-1-propylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
CID 137339717
oxolan-3-yl-[4-(1,3-thiazol-5-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 137338980
[4-[2-(benzenesulfonyl)ethyl]-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
CID 137345568
2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide
CID 135101428
N-[(1S,3R)-3-methylcyclohexyl]-2-[4-[(3R)-oxolane-3-carbonyl]piperazin-1-yl]acetamide
CID 95617402
2-(4-acetyl-1,4-diazepan-1-yl)-1-(oxolan-3-yl)ethanone
CID 104750236

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide (CID 137342205) is N-(1,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide is Cc1c(NC(=O)CN2CCCN(C(=O)C3CCOC3)CC2)cnn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is RGQRLHQIMJSEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-13-15(10-18-20(13)2)19-16(23)11-21-5-3-6-22(8-7-21)17(24)14-4-9-25-12-14/h10,14H,3-9,11-12H2,1-2H3,(H,19,23).
What are the key properties of N-(1,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide?
N-(1,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 349.44 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-4-yl)-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 137342205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).