cyclopropyl-[5-(5-methyl-1H-pyrazole-3-carbonyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]methanone

C18H20N4O2 — CID 91924237

IUPACcyclopropyl-[5-(5-methyl-1H-pyrazole-3-carbonyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCN(C(=O)C3CC3)c3ccccc32)n[nH]1
InChIInChI=1S/C18H20N4O2/c1-12-11-14(20-19-12)18(24)22-10-4-9-21(17(23)13-7-8-13)15-5-2-3-6-16(15)22/h2-3,5-6,11,13H,4,7-10H2,1H3,(H,19,20)
InChIKeyMPHWTLVIZWOVEJ-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.51
Rot. Bonds2

About cyclopropyl-[5-(5-methyl-1H-pyrazole-3-carbonyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]methanone

cyclopropyl-[5-(5-methyl-1H-pyrazole-3-carbonyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]methanone (PubChem CID 91924237) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is cyclopropyl-[5-(5-methyl-1H-pyrazole-3-carbonyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[5-(5-methyl-1H-pyrazole-3-carbonyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]methanone
PubChem CID91924237
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Namecyclopropyl-[5-(5-methyl-1H-pyrazole-3-carbonyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCN(C(=O)C3CC3)c3ccccc32)n[nH]1
InChIInChI=1S/C18H20N4O2/c1-12-11-14(20-19-12)18(24)22-10-4-9-21(17(23)13-7-8-13)15-5-2-3-6-16(15)22/h2-3,5-6,11,13H,4,7-10H2,1H3,(H,19,20)
InChIKeyMPHWTLVIZWOVEJ-UHFFFAOYSA-N
XLogP2.51
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-(5-methyl-1H-pyrazole-3-carbonyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]methanone?
The IUPAC name of cyclopropyl-[5-(5-methyl-1H-pyrazole-3-carbonyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]methanone (CID 91924237) is cyclopropyl-[5-(5-methyl-1H-pyrazole-3-carbonyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[5-(5-methyl-1H-pyrazole-3-carbonyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[5-(5-methyl-1H-pyrazole-3-carbonyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]methanone is Cc1cc(C(=O)N2CCCN(C(=O)C3CC3)c3ccccc32)n[nH]1.
What is the InChIKey of cyclopropyl-[5-(5-methyl-1H-pyrazole-3-carbonyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]methanone?
The InChIKey is MPHWTLVIZWOVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-11-14(20-19-12)18(24)22-10-4-9-21(17(23)13-7-8-13)15-5-2-3-6-16(15)22/h2-3,5-6,11,13H,4,7-10H2,1H3,(H,19,20).
What are the key properties of cyclopropyl-[5-(5-methyl-1H-pyrazole-3-carbonyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]methanone?
cyclopropyl-[5-(5-methyl-1H-pyrazole-3-carbonyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]methanone has a molecular weight of 324.38 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-(5-methyl-1H-pyrazole-3-carbonyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]methanone is sourced from PubChem (CID 91924237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).