7-N-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5,7-dicarboxamide

C12H19N5O2 — CID 118739721

IUPAC7-N-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5,7-dicarboxamide
SMILESCC(C)NC(=O)C1CN(C(N)=O)Cc2ccnn2C1
InChIInChI=1S/C12H19N5O2/c1-8(2)15-11(18)9-5-16(12(13)19)7-10-3-4-14-17(10)6-9/h3-4,8-9H,5-7H2,1-2H3,(H2,13,19)(H,15,18)
InChIKeyIMGJFQKZMYBHMF-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.08
Rot. Bonds2

About 7-N-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5,7-dicarboxamide

7-N-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5,7-dicarboxamide (PubChem CID 118739721) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 7-N-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5,7-dicarboxamide
PubChem CID118739721
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name7-N-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5,7-dicarboxamide
SMILESCC(C)NC(=O)C1CN(C(N)=O)Cc2ccnn2C1
InChIInChI=1S/C12H19N5O2/c1-8(2)15-11(18)9-5-16(12(13)19)7-10-3-4-14-17(10)6-9/h3-4,8-9H,5-7H2,1-2H3,(H2,13,19)(H,15,18)
InChIKeyIMGJFQKZMYBHMF-UHFFFAOYSA-N
XLogP-0.08
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-N-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5,7-dicarboxamide?
The IUPAC name of 7-N-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5,7-dicarboxamide (CID 118739721) is 7-N-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5,7-dicarboxamide?
The canonical SMILES for 7-N-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5,7-dicarboxamide is CC(C)NC(=O)C1CN(C(N)=O)Cc2ccnn2C1.
What is the InChIKey of 7-N-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5,7-dicarboxamide?
The InChIKey is IMGJFQKZMYBHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-8(2)15-11(18)9-5-16(12(13)19)7-10-3-4-14-17(10)6-9/h3-4,8-9H,5-7H2,1-2H3,(H2,13,19)(H,15,18).
What are the key properties of 7-N-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5,7-dicarboxamide?
7-N-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5,7-dicarboxamide has a molecular weight of 265.32 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5,7-dicarboxamide is sourced from PubChem (CID 118739721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).