5-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine

C15H19ClN4 — CID 115311343

IUPAC5-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
SMILESCc1nn(C)c(CN2CCCNc3ccccc32)c1Cl
InChIInChI=1S/C15H19ClN4/c1-11-15(16)14(19(2)18-11)10-20-9-5-8-17-12-6-3-4-7-13(12)20/h3-4,6-7,17H,5,8-10H2,1-2H3
InChIKeyXJRWTEWJIYBYIQ-UHFFFAOYSA-N
MW290.80 g/mol
LogP3.20
Rot. Bonds2

About 5-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine

5-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine (PubChem CID 115311343) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 5-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine.

Molecular Properties

Compound Name5-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
PubChem CID115311343
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name5-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
SMILESCc1nn(C)c(CN2CCCNc3ccccc32)c1Cl
InChIInChI=1S/C15H19ClN4/c1-11-15(16)14(19(2)18-11)10-20-9-5-8-17-12-6-3-4-7-13(12)20/h3-4,6-7,17H,5,8-10H2,1-2H3
InChIKeyXJRWTEWJIYBYIQ-UHFFFAOYSA-N
XLogP3.20
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine 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

5-[(5-chloropyrazin-2-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 103055274
5-[(4,6-dichloro-3-pyridinyl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 116519857
5-methyl-3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-ylmethyl)-1,2,4-oxadiazole
CID 115311521
5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 115311455
4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 60811841
5-heptyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 64851622
5-[(4-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 114346603
5-[(4-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 107883138
5-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 115311321
3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)propanamide
CID 64852380
5-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)pentanenitrile
CID 115311358
3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-ylmethyl)pentan-3-ol
CID 114496626

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine?
The IUPAC name of 5-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine (CID 115311343) is 5-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine.
What is the SMILES notation for 5-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine?
The canonical SMILES for 5-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine is Cc1nn(C)c(CN2CCCNc3ccccc32)c1Cl.
What is the InChIKey of 5-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine?
The InChIKey is XJRWTEWJIYBYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-11-15(16)14(19(2)18-11)10-20-9-5-8-17-12-6-3-4-7-13(12)20/h3-4,6-7,17H,5,8-10H2,1-2H3.
What are the key properties of 5-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine?
5-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine has a molecular weight of 290.80 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine is sourced from PubChem (CID 115311343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).