N,N-dimethyl-1-[5-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine

C19H24N6O — CID 56900614

IUPACN,N-dimethyl-1-[5-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine
SMILESCN(C)Cc1cc2n(n1)CCCN(Cc1noc(-c3ccccc3)n1)C2
InChIInChI=1S/C19H24N6O/c1-23(2)12-16-11-17-13-24(9-6-10-25(17)21-16)14-18-20-19(26-22-18)15-7-4-3-5-8-15/h3-5,7-8,11H,6,9-10,12-14H2,1-2H3
InChIKeyGSCWXYXOBASRCW-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.40
Rot. Bonds5

About N,N-dimethyl-1-[5-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine

N,N-dimethyl-1-[5-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine (PubChem CID 56900614) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine
PubChem CID56900614
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC NameN,N-dimethyl-1-[5-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine
SMILESCN(C)Cc1cc2n(n1)CCCN(Cc1noc(-c3ccccc3)n1)C2
InChIInChI=1S/C19H24N6O/c1-23(2)12-16-11-17-13-24(9-6-10-25(17)21-16)14-18-20-19(26-22-18)15-7-4-3-5-8-15/h3-5,7-8,11H,6,9-10,12-14H2,1-2H3
InChIKeyGSCWXYXOBASRCW-UHFFFAOYSA-N
XLogP2.40
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine (CID 56900614) is N,N-dimethyl-1-[5-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine is CN(C)Cc1cc2n(n1)CCCN(Cc1noc(-c3ccccc3)n1)C2.
What is the InChIKey of N,N-dimethyl-1-[5-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine?
The InChIKey is GSCWXYXOBASRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-23(2)12-16-11-17-13-24(9-6-10-25(17)21-16)14-18-20-19(26-22-18)15-7-4-3-5-8-15/h3-5,7-8,11H,6,9-10,12-14H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[5-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine?
N,N-dimethyl-1-[5-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine has a molecular weight of 352.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanamine is sourced from PubChem (CID 56900614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).