1,7,7-trimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-4H-pyrazolo[4,5-c]azepine-5-carboxamide

C14H20N6O2 — CID 167745829

IUPAC1,7,7-trimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-4H-pyrazolo[4,5-c]azepine-5-carboxamide
SMILESCc1noc(NC(=O)N2Cc3cnn(C)c3CC(C)(C)C2)n1
InChIInChI=1S/C14H20N6O2/c1-9-16-12(22-18-9)17-13(21)20-7-10-6-15-19(4)11(10)5-14(2,3)8-20/h6H,5,7-8H2,1-4H3,(H,16,17,18,21)
InChIKeyUFBCTSGLMGTFBP-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.73
Rot. Bonds1

About 1,7,7-trimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-4H-pyrazolo[4,5-c]azepine-5-carboxamide

1,7,7-trimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-4H-pyrazolo[4,5-c]azepine-5-carboxamide (PubChem CID 167745829) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-4H-pyrazolo[4,5-c]azepine-5-carboxamide.

Molecular Properties

Compound Name1,7,7-trimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-4H-pyrazolo[4,5-c]azepine-5-carboxamide
PubChem CID167745829
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name1,7,7-trimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-4H-pyrazolo[4,5-c]azepine-5-carboxamide
SMILESCc1noc(NC(=O)N2Cc3cnn(C)c3CC(C)(C)C2)n1
InChIInChI=1S/C14H20N6O2/c1-9-16-12(22-18-9)17-13(21)20-7-10-6-15-19(4)11(10)5-14(2,3)8-20/h6H,5,7-8H2,1-4H3,(H,16,17,18,21)
InChIKeyUFBCTSGLMGTFBP-UHFFFAOYSA-N
XLogP1.73
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7,7-dimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 167815573
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CID 164639611
N-(3-methyl-1,2,4-oxadiazol-5-yl)-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide
CID 167857522
1-methyl-N-pyridin-3-yl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 146144583
1,1-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)urea
CID 116658012
1-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethanone
CID 129182181
1-bicyclo[1.1.0]butanyl-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
CID 167750680
N-(2-chloro-6-methoxy-4-pyridinyl)-1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepine-5-carboxamide
CID 126831643
3,6-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)carbamoyl]benzoic acid
CID 103429396
5-[1-(methoxymethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-1,7,7-trimethyl-6,8-dihydro-4H-pyrazolo[4,5-c]azepine
CID 166243316
2,2-dimethyl-N-(2-methylpyrazol-3-yl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 166209547
3,5-dihydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 104938878

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-4H-pyrazolo[4,5-c]azepine-5-carboxamide?
The IUPAC name of 1,7,7-trimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-4H-pyrazolo[4,5-c]azepine-5-carboxamide (CID 167745829) is 1,7,7-trimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-4H-pyrazolo[4,5-c]azepine-5-carboxamide.
What is the SMILES notation for 1,7,7-trimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-4H-pyrazolo[4,5-c]azepine-5-carboxamide?
The canonical SMILES for 1,7,7-trimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-4H-pyrazolo[4,5-c]azepine-5-carboxamide is Cc1noc(NC(=O)N2Cc3cnn(C)c3CC(C)(C)C2)n1.
What is the InChIKey of 1,7,7-trimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-4H-pyrazolo[4,5-c]azepine-5-carboxamide?
The InChIKey is UFBCTSGLMGTFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-9-16-12(22-18-9)17-13(21)20-7-10-6-15-19(4)11(10)5-14(2,3)8-20/h6H,5,7-8H2,1-4H3,(H,16,17,18,21).
What are the key properties of 1,7,7-trimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-4H-pyrazolo[4,5-c]azepine-5-carboxamide?
1,7,7-trimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-4H-pyrazolo[4,5-c]azepine-5-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-4H-pyrazolo[4,5-c]azepine-5-carboxamide is sourced from PubChem (CID 167745829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).