(1-ethylpyrazol-3-yl)-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone

C18H20N6O — CID 53165144

IUPAC(1-ethylpyrazol-3-yl)-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone
SMILESCCn1ccc(C(=O)N2CCCn3nc(-c4ccncc4)cc3C2)n1
InChIInChI=1S/C18H20N6O/c1-2-23-11-6-16(20-23)18(25)22-9-3-10-24-15(13-22)12-17(21-24)14-4-7-19-8-5-14/h4-8,11-12H,2-3,9-10,13H2,1H3
InChIKeyIAPYREVEQOBZCJ-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.21
Rot. Bonds3

About (1-ethylpyrazol-3-yl)-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone

(1-ethylpyrazol-3-yl)-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone (PubChem CID 53165144) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone
PubChem CID53165144
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name(1-ethylpyrazol-3-yl)-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone
SMILESCCn1ccc(C(=O)N2CCCn3nc(-c4ccncc4)cc3C2)n1
InChIInChI=1S/C18H20N6O/c1-2-23-11-6-16(20-23)18(25)22-9-3-10-24-15(13-22)12-17(21-24)14-4-7-19-8-5-14/h4-8,11-12H,2-3,9-10,13H2,1H3
InChIKeyIAPYREVEQOBZCJ-UHFFFAOYSA-N
XLogP2.21
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1-ethylpyrazol-3-yl)-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone 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

US10022354, Example 2
CID 95834606
US10022354, Example 1
CID 95834607
US10022354, Example 78
CID 110264830
US10022354, Example 46
CID 121279427
US10022354, Example 47
CID 121279428
US10022354, Example 71
CID 121279677
US10022354, Example 45
CID 121279684
US10022354, Example 48
CID 121279687
US10022354, Example 69
CID 121279703
1-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-3-carbohydrazide
CID 5412145
1-methyl-N-[(Z)-1-pyridin-4-ylethylideneamino]pyrazole-3-carboxamide
CID 5424915
1-methyl-N'-[(E)-pyridin-3-ylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6884360

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone (CID 53165144) is (1-ethylpyrazol-3-yl)-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone is CCn1ccc(C(=O)N2CCCn3nc(-c4ccncc4)cc3C2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone?
The InChIKey is IAPYREVEQOBZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-2-23-11-6-16(20-23)18(25)22-9-3-10-24-15(13-22)12-17(21-24)14-4-7-19-8-5-14/h4-8,11-12H,2-3,9-10,13H2,1H3.
What are the key properties of (1-ethylpyrazol-3-yl)-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone?
(1-ethylpyrazol-3-yl)-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone has a molecular weight of 336.40 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-(2-pyridin-4-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone is sourced from PubChem (CID 53165144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).