4-(2-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine

C14H15ClN4 — CID 135804000

IUPAC4-(2-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine
SMILESCc1nn(C)c2c1C(c1ccccc1Cl)=NCCN2
InChIInChI=1S/C14H15ClN4/c1-9-12-13(10-5-3-4-6-11(10)15)16-7-8-17-14(12)19(2)18-9/h3-6,17H,7-8H2,1-2H3
InChIKeyQKNYDTJTUVBSSA-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.64
Rot. Bonds1

About 4-(2-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine

4-(2-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine (PubChem CID 135804000) has the molecular formula C14H15ClN4 and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine
PubChem CID135804000
Molecular FormulaC14H15ClN4
Molecular Weight274.75 g/mol
Exact Mass274.10
IUPAC Name4-(2-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine
SMILESCc1nn(C)c2c1C(c1ccccc1Cl)=NCCN2
InChIInChI=1S/C14H15ClN4/c1-9-12-13(10-5-3-4-6-11(10)15)16-7-8-17-14(12)19(2)18-9/h3-6,17H,7-8H2,1-2H3
InChIKeyQKNYDTJTUVBSSA-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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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine?
The IUPAC name of 4-(2-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine (CID 135804000) is 4-(2-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine.
What is the SMILES notation for 4-(2-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine?
The canonical SMILES for 4-(2-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine is Cc1nn(C)c2c1C(c1ccccc1Cl)=NCCN2.
What is the InChIKey of 4-(2-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine?
The InChIKey is QKNYDTJTUVBSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4/c1-9-12-13(10-5-3-4-6-11(10)15)16-7-8-17-14(12)19(2)18-9/h3-6,17H,7-8H2,1-2H3.
What are the key properties of 4-(2-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine?
4-(2-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-(2-chlorophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine is sourced from PubChem (CID 135804000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).