4-(3-chlorophenyl)-1,3,8-trimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine

C15H17ClN4 — CID 12751411

IUPAC4-(3-chlorophenyl)-1,3,8-trimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine
SMILESCc1nn(C)c2c1C(c1cccc(Cl)c1)=NCCN2C
InChIInChI=1S/C15H17ClN4/c1-10-13-14(11-5-4-6-12(16)9-11)17-7-8-19(2)15(13)20(3)18-10/h4-6,9H,7-8H2,1-3H3
InChIKeyBIKRIKSKVRMXBL-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.67
Rot. Bonds1

About 4-(3-chlorophenyl)-1,3,8-trimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine

4-(3-chlorophenyl)-1,3,8-trimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine (PubChem CID 12751411) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1,3,8-trimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1,3,8-trimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine
PubChem CID12751411
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name4-(3-chlorophenyl)-1,3,8-trimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine
SMILESCc1nn(C)c2c1C(c1cccc(Cl)c1)=NCCN2C
InChIInChI=1S/C15H17ClN4/c1-10-13-14(11-5-4-6-12(16)9-11)17-7-8-19(2)15(13)20(3)18-10/h4-6,9H,7-8H2,1-3H3
InChIKeyBIKRIKSKVRMXBL-UHFFFAOYSA-N
XLogP2.67
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1,3,8-trimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine?
The IUPAC name of 4-(3-chlorophenyl)-1,3,8-trimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine (CID 12751411) is 4-(3-chlorophenyl)-1,3,8-trimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine.
What is the SMILES notation for 4-(3-chlorophenyl)-1,3,8-trimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine?
The canonical SMILES for 4-(3-chlorophenyl)-1,3,8-trimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine is Cc1nn(C)c2c1C(c1cccc(Cl)c1)=NCCN2C.
What is the InChIKey of 4-(3-chlorophenyl)-1,3,8-trimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine?
The InChIKey is BIKRIKSKVRMXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-10-13-14(11-5-4-6-12(16)9-11)17-7-8-19(2)15(13)20(3)18-10/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 4-(3-chlorophenyl)-1,3,8-trimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine?
4-(3-chlorophenyl)-1,3,8-trimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine has a molecular weight of 288.78 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1,3,8-trimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine is sourced from PubChem (CID 12751411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).