1-benzyl-1,2,4-triazole-3-carboxamide;2-(2,2-difluorocyclopropyl)-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one

C21H23F2N7O2 — CID 145225512

IUPAC1-benzyl-1,2,4-triazole-3-carboxamide;2-(2,2-difluorocyclopropyl)-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
SMILESCN1C(=O)CCCn2nc(C3CC3(F)F)cc21.NC(=O)c1ncn(Cc2ccccc2)n1
InChIInChI=1S/C11H13F2N3O.C10H10N4O/c1-15-9-5-8(7-6-11(7,12)13)14-16(9)4-2-3-10(15)17;11-9(15)10-12-7-14(13-10)6-8-4-2-1-3-5-8/h5,7H,2-4,6H2,1H3;1-5,7H,6H2,(H2,11,15)
InChIKeyYGCGTLIZKACQDP-UHFFFAOYSA-N
MW443.46 g/mol
LogP2.19
Rot. Bonds4

About 1-benzyl-1,2,4-triazole-3-carboxamide;2-(2,2-difluorocyclopropyl)-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one

1-benzyl-1,2,4-triazole-3-carboxamide;2-(2,2-difluorocyclopropyl)-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one (PubChem CID 145225512) has the molecular formula C21H23F2N7O2 and a molecular weight of 443.46 g/mol. Its IUPAC name is 1-benzyl-1,2,4-triazole-3-carboxamide;2-(2,2-difluorocyclopropyl)-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one.

Molecular Properties

Compound Name1-benzyl-1,2,4-triazole-3-carboxamide;2-(2,2-difluorocyclopropyl)-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
PubChem CID145225512
Molecular FormulaC21H23F2N7O2
Molecular Weight443.46 g/mol
Exact Mass443.19
IUPAC Name1-benzyl-1,2,4-triazole-3-carboxamide;2-(2,2-difluorocyclopropyl)-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
SMILESCN1C(=O)CCCn2nc(C3CC3(F)F)cc21.NC(=O)c1ncn(Cc2ccccc2)n1
InChIInChI=1S/C11H13F2N3O.C10H10N4O/c1-15-9-5-8(7-6-11(7,12)13)14-16(9)4-2-3-10(15)17;11-9(15)10-12-7-14(13-10)6-8-4-2-1-3-5-8/h5,7H,2-4,6H2,1H3;1-5,7H,6H2,(H2,11,15)
InChIKeyYGCGTLIZKACQDP-UHFFFAOYSA-N
XLogP2.19
TPSA111.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-benzyl-1,2,4-triazole-3-carboxamide;2-(2,2-difluorocyclopropyl)-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-cyanophenyl)methyl]-1,2,4-triazole-3-carboxamide;2-cyclopropyl-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
CID 145225698
6-[2-(1-benzyl-1,2,4-triazol-3-yl)-2-oxoethyl]-2-cyclopropyl-4-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a][1,3]diazocin-5-one
CID 160980101
1-benzyl-1,2,4-triazole-3-carboxamide;5-methyl-8-pyrrolidin-1-yl-2,3-dihydropyrido[4,3-b][1,4]oxazepin-4-one
CID 168952282
1-benzyl-1,2,4-triazole-3-carboxamide;5-methyl-8-(2-pyrrolidin-1-ylethylamino)-2,3-dihydropyrido[4,3-b][1,4]thiazepin-4-one
CID 168952303
3-[(6S)-6-[(1-benzyl-1,2,4-triazole-3-carbonyl)amino]-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-2-yl]azetidine-1-carboxylic acid
CID 175813156
(6R)-6-amino-2-[(1S)-2,2-difluorocyclopropyl]-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;(6S)-6-amino-2-[(1S)-2,2-difluorocyclopropyl]-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;(6R)-6-amino-2-[(1R)-2,2-difluorocyclopropyl]-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;(6S)-6-amino-2-[(1R)-2,2-difluorocyclopropyl]-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
CID 158980257
5-benzyl-1H-1,2,4-triazole-3-carboxamide;4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
CID 145408010
bis(1-benzyl-N-[(6S)-2-(1-hydroxyethyl)-4-methyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1,2,4-triazole-3-carboxamide);methane
CID 157377602
6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide;ethane;4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one;propane
CID 145225030
1-[(3,5-difluorophenyl)methyl]-1,2,4-triazole-3-carboxamide
CID 145225019
1-[(2-cyanophenyl)methyl]-1,2,4-triazole-3-carboxamide;5-methyl-7-pyrrolidin-1-yl-2,3-dihydro-1,5-benzothiazepin-4-one
CID 168951845
methyl 1-benzyl-1,2,4-triazole-3-carboxylate
CID 67023628

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1,2,4-triazole-3-carboxamide;2-(2,2-difluorocyclopropyl)-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one?
The IUPAC name of 1-benzyl-1,2,4-triazole-3-carboxamide;2-(2,2-difluorocyclopropyl)-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one (CID 145225512) is 1-benzyl-1,2,4-triazole-3-carboxamide;2-(2,2-difluorocyclopropyl)-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one.
What is the SMILES notation for 1-benzyl-1,2,4-triazole-3-carboxamide;2-(2,2-difluorocyclopropyl)-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one?
The canonical SMILES for 1-benzyl-1,2,4-triazole-3-carboxamide;2-(2,2-difluorocyclopropyl)-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one is CN1C(=O)CCCn2nc(C3CC3(F)F)cc21.NC(=O)c1ncn(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-1,2,4-triazole-3-carboxamide;2-(2,2-difluorocyclopropyl)-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one?
The InChIKey is YGCGTLIZKACQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O.C10H10N4O/c1-15-9-5-8(7-6-11(7,12)13)14-16(9)4-2-3-10(15)17;11-9(15)10-12-7-14(13-10)6-8-4-2-1-3-5-8/h5,7H,2-4,6H2,1H3;1-5,7H,6H2,(H2,11,15).
What are the key properties of 1-benzyl-1,2,4-triazole-3-carboxamide;2-(2,2-difluorocyclopropyl)-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one?
1-benzyl-1,2,4-triazole-3-carboxamide;2-(2,2-difluorocyclopropyl)-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one has a molecular weight of 443.46 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1,2,4-triazole-3-carboxamide;2-(2,2-difluorocyclopropyl)-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one is sourced from PubChem (CID 145225512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).