3-[5-(5-methylpyrazine-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-propan-2-ylpropanamide

C19H26N6O2 — CID 72856640

IUPAC3-[5-(5-methylpyrazine-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-propan-2-ylpropanamide
SMILESCc1cnc(C(=O)N2CCCn3nc(CCC(=O)NC(C)C)cc3C2)cn1
InChIInChI=1S/C19H26N6O2/c1-13(2)22-18(26)6-5-15-9-16-12-24(7-4-8-25(16)23-15)19(27)17-11-20-14(3)10-21-17/h9-11,13H,4-8,12H2,1-3H3,(H,22,26)
InChIKeySNOMOUQOLLXKED-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.48
Rot. Bonds5

About 3-[5-(5-methylpyrazine-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-propan-2-ylpropanamide

3-[5-(5-methylpyrazine-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-propan-2-ylpropanamide (PubChem CID 72856640) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-[5-(5-methylpyrazine-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[5-(5-methylpyrazine-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-propan-2-ylpropanamide
PubChem CID72856640
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name3-[5-(5-methylpyrazine-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-propan-2-ylpropanamide
SMILESCc1cnc(C(=O)N2CCCn3nc(CCC(=O)NC(C)C)cc3C2)cn1
InChIInChI=1S/C19H26N6O2/c1-13(2)22-18(26)6-5-15-9-16-12-24(7-4-8-25(16)23-15)19(27)17-11-20-14(3)10-21-17/h9-11,13H,4-8,12H2,1-3H3,(H,22,26)
InChIKeySNOMOUQOLLXKED-UHFFFAOYSA-N
XLogP1.48
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-(5-methylpyrazine-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-propan-2-ylpropanamide with MolForge

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Related Compounds

3-[5-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 72896986
3-[5-(2-hydroxy-4-methylsulfanylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-N-propan-2-ylpropanamide
CID 72909803
5-methyl-N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrazine-2-carboxamide
CID 70739116
N-(2-hydroxyethyl)-3-[5-(3-methylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
CID 72863618
3-[5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 112547163
(2R)-2-amino-1-[2-(3-oxo-3-pyrrolidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
CID 72883225
N-cyclopentyl-3-[5-(pyridine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
CID 72871966
3-[5-(3-methyltriazolo[4,5-b]pyridine-6-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 56887020
3-[5-(3,4-difluorobenzoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 56906037
3-[5-[2-(1,2,4-triazol-4-yl)pyridine-4-carbonyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 72858658
2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxylic acid
CID 176895954
3-[5-(1-methylindole-3-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propanoic acid
CID 56882862

Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-methylpyrazine-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[5-(5-methylpyrazine-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-propan-2-ylpropanamide (CID 72856640) is 3-[5-(5-methylpyrazine-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[5-(5-methylpyrazine-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[5-(5-methylpyrazine-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-propan-2-ylpropanamide is Cc1cnc(C(=O)N2CCCn3nc(CCC(=O)NC(C)C)cc3C2)cn1.
What is the InChIKey of 3-[5-(5-methylpyrazine-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-propan-2-ylpropanamide?
The InChIKey is SNOMOUQOLLXKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-13(2)22-18(26)6-5-15-9-16-12-24(7-4-8-25(16)23-15)19(27)17-11-20-14(3)10-21-17/h9-11,13H,4-8,12H2,1-3H3,(H,22,26).
What are the key properties of 3-[5-(5-methylpyrazine-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-propan-2-ylpropanamide?
3-[5-(5-methylpyrazine-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-propan-2-ylpropanamide has a molecular weight of 370.46 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-methylpyrazine-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 72856640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).