1-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-one

C19H24N4O — CID 167802529

IUPAC1-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-one
SMILESCc1nn(C2CCCC2)cc1CN1CCNC(=O)c2ccccc21
InChIInChI=1S/C19H24N4O/c1-14-15(13-23(21-14)16-6-2-3-7-16)12-22-11-10-20-19(24)17-8-4-5-9-18(17)22/h4-5,8-9,13,16H,2-3,6-7,10-12H2,1H3,(H,20,24)
InChIKeyGMBSEKRVFQUXFU-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.06
Rot. Bonds3

About 1-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-one

1-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-one (PubChem CID 167802529) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-one.

Molecular Properties

Compound Name1-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-one
PubChem CID167802529
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-one
SMILESCc1nn(C2CCCC2)cc1CN1CCNC(=O)c2ccccc21
InChIInChI=1S/C19H24N4O/c1-14-15(13-23(21-14)16-6-2-3-7-16)12-22-11-10-20-19(24)17-8-4-5-9-18(17)22/h4-5,8-9,13,16H,2-3,6-7,10-12H2,1H3,(H,20,24)
InChIKeyGMBSEKRVFQUXFU-UHFFFAOYSA-N
XLogP3.06
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-one?
The IUPAC name of 1-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-one (CID 167802529) is 1-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-one.
What is the SMILES notation for 1-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-one?
The canonical SMILES for 1-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-one is Cc1nn(C2CCCC2)cc1CN1CCNC(=O)c2ccccc21.
What is the InChIKey of 1-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-one?
The InChIKey is GMBSEKRVFQUXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-15(13-23(21-14)16-6-2-3-7-16)12-22-11-10-20-19(24)17-8-4-5-9-18(17)22/h4-5,8-9,13,16H,2-3,6-7,10-12H2,1H3,(H,20,24).
What are the key properties of 1-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-one?
1-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-one has a molecular weight of 324.43 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-one is sourced from PubChem (CID 167802529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).