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

C19H27N5 — CID 12751449

IUPAC3-(1,3-dimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl)-N,N-dimethylpropan-1-amine
SMILESCc1nn(C)c2c1C(c1ccccc1)=NCCN2CCCN(C)C
InChIInChI=1S/C19H27N5/c1-15-17-18(16-9-6-5-7-10-16)20-11-14-24(13-8-12-22(2)3)19(17)23(4)21-15/h5-7,9-10H,8,11-14H2,1-4H3
InChIKeyMRKMKVQVYQNCGO-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.34
Rot. Bonds5

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

3-(1,3-dimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl)-N,N-dimethylpropan-1-amine (PubChem CID 12751449) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 3-(1,3-dimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(1,3-dimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl)-N,N-dimethylpropan-1-amine
PubChem CID12751449
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name3-(1,3-dimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl)-N,N-dimethylpropan-1-amine
SMILESCc1nn(C)c2c1C(c1ccccc1)=NCCN2CCCN(C)C
InChIInChI=1S/C19H27N5/c1-15-17-18(16-9-6-5-7-10-16)20-11-14-24(13-8-12-22(2)3)19(17)23(4)21-15/h5-7,9-10H,8,11-14H2,1-4H3
InChIKeyMRKMKVQVYQNCGO-UHFFFAOYSA-N
XLogP2.34
TPSA36.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(1,3-dimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl)-N,N-dimethylpropan-1-amine (CID 12751449) is 3-(1,3-dimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(1,3-dimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(1,3-dimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl)-N,N-dimethylpropan-1-amine is Cc1nn(C)c2c1C(c1ccccc1)=NCCN2CCCN(C)C.
What is the InChIKey of 3-(1,3-dimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is MRKMKVQVYQNCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-15-17-18(16-9-6-5-7-10-16)20-11-14-24(13-8-12-22(2)3)19(17)23(4)21-15/h5-7,9-10H,8,11-14H2,1-4H3.
What are the key properties of 3-(1,3-dimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl)-N,N-dimethylpropan-1-amine?
3-(1,3-dimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 325.46 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 12751449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).