N-methyl-2-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)ethanamine

C17H24N4 — CID 56901570

IUPACN-methyl-2-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)ethanamine
SMILESCN(CCc1ccccc1)Cc1cc2n(n1)CCCNC2
InChIInChI=1S/C17H24N4/c1-20(11-8-15-6-3-2-4-7-15)14-16-12-17-13-18-9-5-10-21(17)19-16/h2-4,6-7,12,18H,5,8-11,13-14H2,1H3
InChIKeyFAPAYTDDQRLKAA-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.05
Rot. Bonds5

About N-methyl-2-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)ethanamine

N-methyl-2-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)ethanamine (PubChem CID 56901570) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-methyl-2-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)ethanamine
PubChem CID56901570
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN-methyl-2-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)ethanamine
SMILESCN(CCc1ccccc1)Cc1cc2n(n1)CCCNC2
InChIInChI=1S/C17H24N4/c1-20(11-8-15-6-3-2-4-7-15)14-16-12-17-13-18-9-5-10-21(17)19-16/h2-4,6-7,12,18H,5,8-11,13-14H2,1H3
InChIKeyFAPAYTDDQRLKAA-UHFFFAOYSA-N
XLogP2.05
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)ethanamine?
The IUPAC name of N-methyl-2-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)ethanamine (CID 56901570) is N-methyl-2-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-2-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-2-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)ethanamine is CN(CCc1ccccc1)Cc1cc2n(n1)CCCNC2.
What is the InChIKey of N-methyl-2-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)ethanamine?
The InChIKey is FAPAYTDDQRLKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-20(11-8-15-6-3-2-4-7-15)14-16-12-17-13-18-9-5-10-21(17)19-16/h2-4,6-7,12,18H,5,8-11,13-14H2,1H3.
What are the key properties of N-methyl-2-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)ethanamine?
N-methyl-2-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)ethanamine has a molecular weight of 284.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)ethanamine is sourced from PubChem (CID 56901570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).