N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2,5-dimethylbenzamide

C15H17N3O — CID 146105922

IUPACN-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2cc3n(n2)CCC3)c1
InChIInChI=1S/C15H17N3O/c1-10-5-6-11(2)13(8-10)15(19)16-14-9-12-4-3-7-18(12)17-14/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17,19)
InChIKeyGQBIDHBJYSAWAI-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.70
Rot. Bonds2

About N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2,5-dimethylbenzamide

N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2,5-dimethylbenzamide (PubChem CID 146105922) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2,5-dimethylbenzamide
PubChem CID146105922
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2cc3n(n2)CCC3)c1
InChIInChI=1S/C15H17N3O/c1-10-5-6-11(2)13(8-10)15(19)16-14-9-12-4-3-7-18(12)17-14/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17,19)
InChIKeyGQBIDHBJYSAWAI-UHFFFAOYSA-N
XLogP2.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methylpyrazin-2-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)urea
CID 166280824
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,5-dimethylbenzamide
CID 122356474
2,5-dimethyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 42140184
6-bromo-N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 146105895
2,5-dimethyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 56921836
N-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylbenzamide
CID 107574857
N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide
CID 925430
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
N-(4-fluoro-3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 53014524
N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide
CID 17444073
2,4-dimethyl-N-(1-methylpyrazol-3-yl)benzamide
CID 19405127
2,5-dimethyl-N-(2-methylphenyl)benzamide
CID 925354

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2,5-dimethylbenzamide?
The IUPAC name of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2,5-dimethylbenzamide (CID 146105922) is N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)Nc2cc3n(n2)CCC3)c1.
What is the InChIKey of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2,5-dimethylbenzamide?
The InChIKey is GQBIDHBJYSAWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-5-6-11(2)13(8-10)15(19)16-14-9-12-4-3-7-18(12)17-14/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,17,19).
What are the key properties of N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2,5-dimethylbenzamide?
N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2,5-dimethylbenzamide has a molecular weight of 255.32 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2,5-dimethylbenzamide is sourced from PubChem (CID 146105922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).