N-phenyl-5-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C21H24N6O — CID 95120037

IUPACN-phenyl-5-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESC[C@@H](Cc1cnccn1)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1
InChIInChI=1S/C21H24N6O/c1-16(12-18-14-22-8-9-23-18)26-10-5-11-27-19(15-26)13-20(25-27)21(28)24-17-6-3-2-4-7-17/h2-4,6-9,13-14,16H,5,10-12,15H2,1H3,(H,24,28)/t16-/m0/s1
InChIKeyPIGHYFZYUGYHRS-INIZCTEOSA-N
MW376.46 g/mol
LogP2.76
Rot. Bonds5

About N-phenyl-5-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

N-phenyl-5-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 95120037) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is N-phenyl-5-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN-phenyl-5-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID95120037
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC NameN-phenyl-5-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESC[C@@H](Cc1cnccn1)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1
InChIInChI=1S/C21H24N6O/c1-16(12-18-14-22-8-9-23-18)26-10-5-11-27-19(15-26)13-20(25-27)21(28)24-17-6-3-2-4-7-17/h2-4,6-9,13-14,16H,5,10-12,15H2,1H3,(H,24,28)/t16-/m0/s1
InChIKeyPIGHYFZYUGYHRS-INIZCTEOSA-N
XLogP2.76
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-tert-butyl-2-N-phenyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2,5-dicarboxamide
CID 50964296
N-phenyl-5-[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 95204473
N-phenyl-5-(1H-pyrrole-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50978426
N-phenyl-5-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50958777
methyl 5-[1-(4-oxoquinazolin-3-yl)propan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50961136
5-[(2S)-oxane-2-carbonyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 95127788
N-phenyl-5-(1H-1,2,4-triazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50967347
5-methyl-N-phenyl-1-propan-2-ylpyrazole-3-carboxamide
CID 110681605
5-(5-oxopyrrolidine-2-carbonyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 56720802
N-[3-[(2R)-1-pyrazin-2-ylpropan-2-yl]phenyl]pyridine-3-carboxamide
CID 157173589
1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)ethenamine
CID 171640849
[5-[(2R)-1-(2-ethylimidazol-1-yl)propan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-pyrrolidin-1-ylmethanone
CID 95131101

Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of N-phenyl-5-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 95120037) is N-phenyl-5-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N-phenyl-5-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for N-phenyl-5-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is C[C@@H](Cc1cnccn1)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1.
What is the InChIKey of N-phenyl-5-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is PIGHYFZYUGYHRS-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N6O/c1-16(12-18-14-22-8-9-23-18)26-10-5-11-27-19(15-26)13-20(25-27)21(28)24-17-6-3-2-4-7-17/h2-4,6-9,13-14,16H,5,10-12,15H2,1H3,(H,24,28)/t16-/m0/s1.
What are the key properties of N-phenyl-5-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
N-phenyl-5-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 95120037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).