3-[4-(2-chlorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine

C19H26ClN5 — CID 12751450

IUPAC3-[4-(2-chlorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine
SMILESCc1nn(C)c2c1C(c1ccccc1Cl)=NCCN2CCCN(C)C
InChIInChI=1S/C19H26ClN5/c1-14-17-18(15-8-5-6-9-16(15)20)21-10-13-25(12-7-11-23(2)3)19(17)24(4)22-14/h5-6,8-9H,7,10-13H2,1-4H3
InChIKeyQQLQFAYJAYQDHF-UHFFFAOYSA-N
MW359.91 g/mol
LogP2.99
Rot. Bonds5

About 3-[4-(2-chlorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine

3-[4-(2-chlorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine (PubChem CID 12751450) has the molecular formula C19H26ClN5 and a molecular weight of 359.91 g/mol. Its IUPAC name is 3-[4-(2-chlorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(2-chlorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine
PubChem CID12751450
Molecular FormulaC19H26ClN5
Molecular Weight359.91 g/mol
Exact Mass359.19
IUPAC Name3-[4-(2-chlorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine
SMILESCc1nn(C)c2c1C(c1ccccc1Cl)=NCCN2CCCN(C)C
InChIInChI=1S/C19H26ClN5/c1-14-17-18(15-8-5-6-9-16(15)20)21-10-13-25(12-7-11-23(2)3)19(17)24(4)22-14/h5-6,8-9H,7,10-13H2,1-4H3
InChIKeyQQLQFAYJAYQDHF-UHFFFAOYSA-N
XLogP2.99
TPSA36.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.91
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chlorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-(2-chlorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine (CID 12751450) is 3-[4-(2-chlorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-(2-chlorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-(2-chlorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine is Cc1nn(C)c2c1C(c1ccccc1Cl)=NCCN2CCCN(C)C.
What is the InChIKey of 3-[4-(2-chlorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is QQLQFAYJAYQDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN5/c1-14-17-18(15-8-5-6-9-16(15)20)21-10-13-25(12-7-11-23(2)3)19(17)24(4)22-14/h5-6,8-9H,7,10-13H2,1-4H3.
What are the key properties of 3-[4-(2-chlorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine?
3-[4-(2-chlorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 359.91 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chlorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 12751450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).