[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2-morpholin-4-ylphenyl)methanone

C19H24N4O3 — CID 91765802

IUPAC[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2-morpholin-4-ylphenyl)methanone
SMILESO=C(c1ccccc1N1CCOCC1)N1CCCn2nc(CO)cc2C1
InChIInChI=1S/C19H24N4O3/c24-14-15-12-16-13-22(6-3-7-23(16)20-15)19(25)17-4-1-2-5-18(17)21-8-10-26-11-9-21/h1-2,4-5,12,24H,3,6-11,13-14H2
InChIKeyLDOVLCKXEOIBON-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.26
Rot. Bonds3

About [2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2-morpholin-4-ylphenyl)methanone

[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2-morpholin-4-ylphenyl)methanone (PubChem CID 91765802) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is [2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2-morpholin-4-ylphenyl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2-morpholin-4-ylphenyl)methanone
PubChem CID91765802
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2-morpholin-4-ylphenyl)methanone
SMILESO=C(c1ccccc1N1CCOCC1)N1CCCn2nc(CO)cc2C1
InChIInChI=1S/C19H24N4O3/c24-14-15-12-16-13-22(6-3-7-23(16)20-15)19(25)17-4-1-2-5-18(17)21-8-10-26-11-9-21/h1-2,4-5,12,24H,3,6-11,13-14H2
InChIKeyLDOVLCKXEOIBON-UHFFFAOYSA-N
XLogP1.26
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2-morpholin-4-ylphenyl)methanone?
The IUPAC name of [2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2-morpholin-4-ylphenyl)methanone (CID 91765802) is [2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2-morpholin-4-ylphenyl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2-morpholin-4-ylphenyl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2-morpholin-4-ylphenyl)methanone is O=C(c1ccccc1N1CCOCC1)N1CCCn2nc(CO)cc2C1.
What is the InChIKey of [2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2-morpholin-4-ylphenyl)methanone?
The InChIKey is LDOVLCKXEOIBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-14-15-12-16-13-22(6-3-7-23(16)20-15)19(25)17-4-1-2-5-18(17)21-8-10-26-11-9-21/h1-2,4-5,12,24H,3,6-11,13-14H2.
What are the key properties of [2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2-morpholin-4-ylphenyl)methanone?
[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2-morpholin-4-ylphenyl)methanone has a molecular weight of 356.43 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2-morpholin-4-ylphenyl)methanone is sourced from PubChem (CID 91765802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).