(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-(4-methylpiperazin-1-yl)methanone

C16H26ClN5O — CID 169145873

IUPAC(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCC(C)N1CCCn2nc(C(=O)N3CCN(C)CC3)c(Cl)c2C1
InChIInChI=1S/C16H26ClN5O/c1-12(2)21-5-4-6-22-13(11-21)14(17)15(18-22)16(23)20-9-7-19(3)8-10-20/h12H,4-11H2,1-3H3
InChIKeyIVILEGJEKAKGLI-UHFFFAOYSA-N
MW339.87 g/mol
LogP1.54
Rot. Bonds2

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

(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 169145873) has the molecular formula C16H26ClN5O and a molecular weight of 339.87 g/mol. Its IUPAC name is (3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID169145873
Molecular FormulaC16H26ClN5O
Molecular Weight339.87 g/mol
Exact Mass339.18
IUPAC Name(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCC(C)N1CCCn2nc(C(=O)N3CCN(C)CC3)c(Cl)c2C1
InChIInChI=1S/C16H26ClN5O/c1-12(2)21-5-4-6-22-13(11-21)14(17)15(18-22)16(23)20-9-7-19(3)8-10-20/h12H,4-11H2,1-3H3
InChIKeyIVILEGJEKAKGLI-UHFFFAOYSA-N
XLogP1.54
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-(4-methylpiperazin-1-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

(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-(4-methylpiperazin-1-yl)methanone;ethane
CID 176920857
(3-aminopyrrolidin-1-yl)-(3-chloro-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone;ethane
CID 178025444
1-(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane
CID 169145503
4-(4-methyl-1,4-diazepane-1-carbonyl)-2-propan-2-ylphthalazin-1-one
CID 78769386
1-(3-ethynyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylethenamine
CID 177033608
(4-methylpiperazin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone
CID 59729279
(3-chloro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)-(4-propylpiperazin-1-yl)methanone
CID 91959655
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 62089029
(4-chlorophenyl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 90085028
(3-chloro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)-pyrrolidin-1-ylmethanone
CID 91959647
(4-methylpiperazin-1-yl)-[6-(4-propan-2-yl-1,4-diazepan-1-yl)pyrazin-2-yl]methanone
CID 134709347
[5-(cyclopentylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 97389072

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 169145873) is (3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-(4-methylpiperazin-1-yl)methanone is CC(C)N1CCCn2nc(C(=O)N3CCN(C)CC3)c(Cl)c2C1.
What is the InChIKey of (3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is IVILEGJEKAKGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN5O/c1-12(2)21-5-4-6-22-13(11-21)14(17)15(18-22)16(23)20-9-7-19(3)8-10-20/h12H,4-11H2,1-3H3.
What are the key properties of (3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-(4-methylpiperazin-1-yl)methanone?
(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 339.87 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 169145873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).