N-[3-(2,5-dimethylanilino)-3-oxopropyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

C18H21N5O2 — CID 50974131

IUPACN-[3-(2,5-dimethylanilino)-3-oxopropyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCc1ccc(C)c(NC(=O)CCNC(=O)c2cnn3ccn(C)c23)c1
InChIInChI=1S/C18H21N5O2/c1-12-4-5-13(2)15(10-12)21-16(24)6-7-19-17(25)14-11-20-23-9-8-22(3)18(14)23/h4-5,8-11H,6-7H2,1-3H3,(H,19,25)(H,21,24)
InChIKeyHROIXEUAIZJTCD-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.05
Rot. Bonds5

About N-[3-(2,5-dimethylanilino)-3-oxopropyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

N-[3-(2,5-dimethylanilino)-3-oxopropyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 50974131) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[3-(2,5-dimethylanilino)-3-oxopropyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound NameN-[3-(2,5-dimethylanilino)-3-oxopropyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID50974131
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[3-(2,5-dimethylanilino)-3-oxopropyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCc1ccc(C)c(NC(=O)CCNC(=O)c2cnn3ccn(C)c23)c1
InChIInChI=1S/C18H21N5O2/c1-12-4-5-13(2)15(10-12)21-16(24)6-7-19-17(25)14-11-20-23-9-8-22(3)18(14)23/h4-5,8-11H,6-7H2,1-3H3,(H,19,25)(H,21,24)
InChIKeyHROIXEUAIZJTCD-UHFFFAOYSA-N
XLogP2.05
TPSA80.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2,5-dimethylanilino)-3-oxopropyl]-2-methoxybenzamide
CID 26500169
3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
CID 19570193
N-(2,5-dimethylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526490
4-N,5-N-bis(2,5-dimethylphenyl)-1-methylpyrazole-4,5-dicarboxamide
CID 29096951
(2S)-2-bromo-N-[3-(2,5-dimethylanilino)-3-oxopropyl]butanamide
CID 40803264
1-methyl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]imidazo[2,1-e]pyrazole-7-carboxamide
CID 50981979
N-(2,5-dimethylphenyl)-3-pyrrolidin-1-ium-1-ylpropanamide
CID 4742184
5-acetyl-N-[3-(2,5-dimethylanilino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50971960
(2S)-2-bromo-N-[3-(2,5-dimethylanilino)-3-oxopropyl]pentanamide
CID 40803266
N-(2,5-dimethylphenyl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500390
N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119669251
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112996467

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dimethylanilino)-3-oxopropyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of N-[3-(2,5-dimethylanilino)-3-oxopropyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (CID 50974131) is N-[3-(2,5-dimethylanilino)-3-oxopropyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for N-[3-(2,5-dimethylanilino)-3-oxopropyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for N-[3-(2,5-dimethylanilino)-3-oxopropyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is Cc1ccc(C)c(NC(=O)CCNC(=O)c2cnn3ccn(C)c23)c1.
What is the InChIKey of N-[3-(2,5-dimethylanilino)-3-oxopropyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is HROIXEUAIZJTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12-4-5-13(2)15(10-12)21-16(24)6-7-19-17(25)14-11-20-23-9-8-22(3)18(14)23/h4-5,8-11H,6-7H2,1-3H3,(H,19,25)(H,21,24).
What are the key properties of N-[3-(2,5-dimethylanilino)-3-oxopropyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
N-[3-(2,5-dimethylanilino)-3-oxopropyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethylanilino)-3-oxopropyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 50974131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).