5-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-ethyl-N-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide

C18H23N5O3 — CID 131686996

IUPAC5-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-ethyl-N-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide
SMILESCCN(C)C(=O)c1cnn2c1CN(C(=O)c1cc(C3CC3)on1)CCC2
InChIInChI=1S/C18H23N5O3/c1-3-21(2)17(24)13-10-19-23-8-4-7-22(11-15(13)23)18(25)14-9-16(26-20-14)12-5-6-12/h9-10,12H,3-8,11H2,1-2H3
InChIKeyBPZGCHUBXLEQRW-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.89
Rot. Bonds4

About 5-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-ethyl-N-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide

5-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-ethyl-N-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide (PubChem CID 131686996) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-ethyl-N-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide.

Molecular Properties

Compound Name5-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-ethyl-N-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide
PubChem CID131686996
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name5-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-ethyl-N-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide
SMILESCCN(C)C(=O)c1cnn2c1CN(C(=O)c1cc(C3CC3)on1)CCC2
InChIInChI=1S/C18H23N5O3/c1-3-21(2)17(24)13-10-19-23-8-4-7-22(11-15(13)23)18(25)14-9-16(26-20-14)12-5-6-12/h9-10,12H,3-8,11H2,1-2H3
InChIKeyBPZGCHUBXLEQRW-UHFFFAOYSA-N
XLogP1.89
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-ethyl-N-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide with MolForge

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Related Compounds

(5-cyclopropyl-1,2-oxazol-3-yl)-[1-[(5-methyltriazol-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]methanone
CID 131683013
2-[4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 119041061
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 90505051
(5-cyclopropyl-1,2-oxazol-3-yl)-[(5S)-5-[(dimethylamino)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 124820262
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63104546
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208217
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 126446370
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 71805699
(5-cyclopropyl-1,2-oxazol-3-yl)-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
CID 131687603
N-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]butanamide
CID 145039927
(5-cyclopropyl-1,2-oxazol-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 121184581
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123624

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-ethyl-N-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide?
The IUPAC name of 5-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-ethyl-N-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide (CID 131686996) is 5-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-ethyl-N-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide.
What is the SMILES notation for 5-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-ethyl-N-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide?
The canonical SMILES for 5-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-ethyl-N-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide is CCN(C)C(=O)c1cnn2c1CN(C(=O)c1cc(C3CC3)on1)CCC2.
What is the InChIKey of 5-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-ethyl-N-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide?
The InChIKey is BPZGCHUBXLEQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-3-21(2)17(24)13-10-19-23-8-4-7-22(11-15(13)23)18(25)14-9-16(26-20-14)12-5-6-12/h9-10,12H,3-8,11H2,1-2H3.
What are the key properties of 5-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-ethyl-N-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide?
5-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-ethyl-N-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-N-ethyl-N-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide is sourced from PubChem (CID 131686996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).