N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-3-(3-chlorophenyl)propanamide

C19H23ClN4O2 — CID 70724334

IUPACN-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-3-(3-chlorophenyl)propanamide
SMILESCC(=O)N1CCCn2nc(CNC(=O)CCc3cccc(Cl)c3)cc2C1
InChIInChI=1S/C19H23ClN4O2/c1-14(25)23-8-3-9-24-18(13-23)11-17(22-24)12-21-19(26)7-6-15-4-2-5-16(20)10-15/h2,4-5,10-11H,3,6-9,12-13H2,1H3,(H,21,26)
InChIKeyXIIGGDRXQDDGBF-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.54
Rot. Bonds5

About N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-3-(3-chlorophenyl)propanamide

N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-3-(3-chlorophenyl)propanamide (PubChem CID 70724334) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-3-(3-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-3-(3-chlorophenyl)propanamide
PubChem CID70724334
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC NameN-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-3-(3-chlorophenyl)propanamide
SMILESCC(=O)N1CCCn2nc(CNC(=O)CCc3cccc(Cl)c3)cc2C1
InChIInChI=1S/C19H23ClN4O2/c1-14(25)23-8-3-9-24-18(13-23)11-17(22-24)12-21-19(26)7-6-15-4-2-5-16(20)10-15/h2,4-5,10-11H,3,6-9,12-13H2,1H3,(H,21,26)
InChIKeyXIIGGDRXQDDGBF-UHFFFAOYSA-N
XLogP2.54
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-3-(3-chlorophenyl)propanamide?
The IUPAC name of N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-3-(3-chlorophenyl)propanamide (CID 70724334) is N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-3-(3-chlorophenyl)propanamide.
What is the SMILES notation for N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-3-(3-chlorophenyl)propanamide?
The canonical SMILES for N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-3-(3-chlorophenyl)propanamide is CC(=O)N1CCCn2nc(CNC(=O)CCc3cccc(Cl)c3)cc2C1.
What is the InChIKey of N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-3-(3-chlorophenyl)propanamide?
The InChIKey is XIIGGDRXQDDGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-14(25)23-8-3-9-24-18(13-23)11-17(22-24)12-21-19(26)7-6-15-4-2-5-16(20)10-15/h2,4-5,10-11H,3,6-9,12-13H2,1H3,(H,21,26).
What are the key properties of N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-3-(3-chlorophenyl)propanamide?
N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-3-(3-chlorophenyl)propanamide has a molecular weight of 374.87 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-acetyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-3-(3-chlorophenyl)propanamide is sourced from PubChem (CID 70724334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).