3-methyl-1-(2-pyrazol-1-ylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one

C15H18N4O — CID 65365420

IUPAC3-methyl-1-(2-pyrazol-1-ylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
SMILESCC1NCc2ccccc2N(CCn2cccn2)C1=O
InChIInChI=1S/C15H18N4O/c1-12-15(20)19(10-9-18-8-4-7-17-18)14-6-3-2-5-13(14)11-16-12/h2-8,12,16H,9-11H2,1H3
InChIKeyOBEKXIDFQKRLSU-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.41
Rot. Bonds3

About 3-methyl-1-(2-pyrazol-1-ylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one

3-methyl-1-(2-pyrazol-1-ylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one (PubChem CID 65365420) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-methyl-1-(2-pyrazol-1-ylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name3-methyl-1-(2-pyrazol-1-ylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
PubChem CID65365420
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name3-methyl-1-(2-pyrazol-1-ylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one
SMILESCC1NCc2ccccc2N(CCn2cccn2)C1=O
InChIInChI=1S/C15H18N4O/c1-12-15(20)19(10-9-18-8-4-7-17-18)14-6-3-2-5-13(14)11-16-12/h2-8,12,16H,9-11H2,1H3
InChIKeyOBEKXIDFQKRLSU-UHFFFAOYSA-N
XLogP1.41
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-pyrazol-1-ylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 3-methyl-1-(2-pyrazol-1-ylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one (CID 65365420) is 3-methyl-1-(2-pyrazol-1-ylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 3-methyl-1-(2-pyrazol-1-ylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 3-methyl-1-(2-pyrazol-1-ylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one is CC1NCc2ccccc2N(CCn2cccn2)C1=O.
What is the InChIKey of 3-methyl-1-(2-pyrazol-1-ylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
The InChIKey is OBEKXIDFQKRLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-12-15(20)19(10-9-18-8-4-7-17-18)14-6-3-2-5-13(14)11-16-12/h2-8,12,16H,9-11H2,1H3.
What are the key properties of 3-methyl-1-(2-pyrazol-1-ylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
3-methyl-1-(2-pyrazol-1-ylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one has a molecular weight of 270.34 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-pyrazol-1-ylethyl)-4,5-dihydro-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 65365420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).