4-(3-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine

C14H15ClN4 — CID 135410917

IUPAC4-(3-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine
SMILESCc1nn(C)c2c1C(c1cccc(Cl)c1)=NCCN2
InChIInChI=1S/C14H15ClN4/c1-9-12-13(10-4-3-5-11(15)8-10)16-6-7-17-14(12)19(2)18-9/h3-5,8,17H,6-7H2,1-2H3
InChIKeyYCWROMXNZZIJDQ-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.64
Rot. Bonds1

About 4-(3-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine

4-(3-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine (PubChem CID 135410917) has the molecular formula C14H15ClN4 and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine
PubChem CID135410917
Molecular FormulaC14H15ClN4
Molecular Weight274.75 g/mol
Exact Mass274.10
IUPAC Name4-(3-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine
SMILESCc1nn(C)c2c1C(c1cccc(Cl)c1)=NCCN2
InChIInChI=1S/C14H15ClN4/c1-9-12-13(10-4-3-5-11(15)8-10)16-6-7-17-14(12)19(2)18-9/h3-5,8,17H,6-7H2,1-2H3
InChIKeyYCWROMXNZZIJDQ-UHFFFAOYSA-N
XLogP2.64
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Chlorophenyl)-1-Methyl-1H-Pyrazol-5-Amine
CID 2735304
1-(3-chlorobenzyl)-3-(4-methylphenyl)-1H-pyrazol-5-amine
CID 692254
N-[2-[(3-chlorophenyl)methyl]-5-phenylpyrazol-3-yl]acetamide
CID 684780
1-(4-chlorobenzyl)-3-methyl-1H-pyrazol-5-amine
CID 3161264
2-(4-Chloro-benzyl)-5-phenyl-2H-pyrazol-3-ylamine
CID 814441
Guanidine, N-(3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl)-N'-cyano-N''-(1,1-dimethylethyl)-
CID 3050772
Guanidine, 1-(3-(p-chlorophenyl)-1-methyl-5-pyrazolyl)-2-cyano-3-tert-pentyl-
CID 3050773
1,3,8-Trimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine
CID 12751409
4-(3-Chlorophenyl)-1,3,8-trimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine
CID 12751411
4-(2-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine
CID 135804000
1,3-dimethyl-4-(3-methylphenyl)-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine
CID 136114674
3-(1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepin-4-yl)benzonitrile
CID 136114675

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine?
The IUPAC name of 4-(3-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine (CID 135410917) is 4-(3-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine.
What is the SMILES notation for 4-(3-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine?
The canonical SMILES for 4-(3-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine is Cc1nn(C)c2c1C(c1cccc(Cl)c1)=NCCN2.
What is the InChIKey of 4-(3-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine?
The InChIKey is YCWROMXNZZIJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4/c1-9-12-13(10-4-3-5-11(15)8-10)16-6-7-17-14(12)19(2)18-9/h3-5,8,17H,6-7H2,1-2H3.
What are the key properties of 4-(3-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine?
4-(3-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine has a molecular weight of 274.75 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine is sourced from PubChem (CID 135410917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).