2-(2-cyano-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-N-(oxolan-2-ylmethyl)acetamide

C15H21N5O2 — CID 131910556

IUPAC2-(2-cyano-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESN#Cc1cc2n(n1)CCCN(CC(=O)NCC1CCCO1)C2
InChIInChI=1S/C15H21N5O2/c16-8-12-7-13-10-19(4-2-5-20(13)18-12)11-15(21)17-9-14-3-1-6-22-14/h7,14H,1-6,9-11H2,(H,17,21)
InChIKeyQKNCNTXDVWLITO-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.26
Rot. Bonds4

About 2-(2-cyano-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-N-(oxolan-2-ylmethyl)acetamide

2-(2-cyano-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 131910556) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-(2-cyano-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-cyano-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID131910556
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name2-(2-cyano-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESN#Cc1cc2n(n1)CCCN(CC(=O)NCC1CCCO1)C2
InChIInChI=1S/C15H21N5O2/c16-8-12-7-13-10-19(4-2-5-20(13)18-12)11-15(21)17-9-14-3-1-6-22-14/h7,14H,1-6,9-11H2,(H,17,21)
InChIKeyQKNCNTXDVWLITO-UHFFFAOYSA-N
XLogP0.26
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-formylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 62655740
2-(4-hydroxypiperidin-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 27070171
2-[(3R)-3-aminopyrrolidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 129381630
2-[(3S)-3-hydroxypiperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 107225746
N-(oxolan-2-ylmethyl)-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)acetamide
CID 91829871
2-[4-[2-(dimethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 60500146
2-[4-(difluoromethyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 166601670
N-(oxolan-2-ylmethyl)-2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 53165199
2-[4-(4-hydroxyphenyl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 78834128
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 61014916
5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 146040992
N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
CID 60504183

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-cyano-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 131910556) is 2-(2-cyano-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-cyano-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-cyano-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-N-(oxolan-2-ylmethyl)acetamide is N#Cc1cc2n(n1)CCCN(CC(=O)NCC1CCCO1)C2.
What is the InChIKey of 2-(2-cyano-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is QKNCNTXDVWLITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c16-8-12-7-13-10-19(4-2-5-20(13)18-12)11-15(21)17-9-14-3-1-6-22-14/h7,14H,1-6,9-11H2,(H,17,21).
What are the key properties of 2-(2-cyano-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-N-(oxolan-2-ylmethyl)acetamide?
2-(2-cyano-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 303.37 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 131910556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).