4-chloro-N'-(cyclobutanecarbonyl)-1-methylpyrrole-2-carbohydrazide

C11H14ClN3O2 — CID 42573577

IUPAC4-chloro-N'-(cyclobutanecarbonyl)-1-methylpyrrole-2-carbohydrazide
SMILESCn1cc(Cl)cc1C(=O)NNC(=O)C1CCC1
InChIInChI=1S/C11H14ClN3O2/c1-15-6-8(12)5-9(15)11(17)14-13-10(16)7-3-2-4-7/h5-7H,2-4H2,1H3,(H,13,16)(H,14,17)
InChIKeyJNUBXIVYVXSAAX-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.24
Rot. Bonds2

About 4-chloro-N'-(cyclobutanecarbonyl)-1-methylpyrrole-2-carbohydrazide

4-chloro-N'-(cyclobutanecarbonyl)-1-methylpyrrole-2-carbohydrazide (PubChem CID 42573577) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 4-chloro-N'-(cyclobutanecarbonyl)-1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(cyclobutanecarbonyl)-1-methylpyrrole-2-carbohydrazide
PubChem CID42573577
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name4-chloro-N'-(cyclobutanecarbonyl)-1-methylpyrrole-2-carbohydrazide
SMILESCn1cc(Cl)cc1C(=O)NNC(=O)C1CCC1
InChIInChI=1S/C11H14ClN3O2/c1-15-6-8(12)5-9(15)11(17)14-13-10(16)7-3-2-4-7/h5-7H,2-4H2,1H3,(H,13,16)(H,14,17)
InChIKeyJNUBXIVYVXSAAX-UHFFFAOYSA-N
XLogP1.24
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N'-(2-fluoro-2-methylpropanoyl)-1-methylpyrrole-2-carbohydrazide
CID 166193409
4-chloro-N-[2-(cyclopropylamino)ethyl]-1-methylpyrrole-2-carboxamide
CID 62665276
4-chloro-N-[2-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-2-carboxamide
CID 103774058
4-chloro-N'-(cyclobutanecarbonyl)benzohydrazide
CID 2666799
N-(4-aminocyclohexyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 79113868
4-chloro-1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
CID 79688807
(4-chloro-1-methylpyrrol-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563732
N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-(2-methylpropanoyl)piperidine-4-carbohydrazide
CID 32814392
4-bromo-N'-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]-1-methylpyrrole-2-carbohydrazide
CID 55738672
methyl 1-(4-chloro-1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 43410189
4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide
CID 115878497
[(4aS,8aS)-7-(4-chloro-1-methylpyrrole-2-carbonyl)-4a-hydroxy-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-cyclobutylmethanone
CID 72928905

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(cyclobutanecarbonyl)-1-methylpyrrole-2-carbohydrazide?
The IUPAC name of 4-chloro-N'-(cyclobutanecarbonyl)-1-methylpyrrole-2-carbohydrazide (CID 42573577) is 4-chloro-N'-(cyclobutanecarbonyl)-1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for 4-chloro-N'-(cyclobutanecarbonyl)-1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for 4-chloro-N'-(cyclobutanecarbonyl)-1-methylpyrrole-2-carbohydrazide is Cn1cc(Cl)cc1C(=O)NNC(=O)C1CCC1.
What is the InChIKey of 4-chloro-N'-(cyclobutanecarbonyl)-1-methylpyrrole-2-carbohydrazide?
The InChIKey is JNUBXIVYVXSAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-15-6-8(12)5-9(15)11(17)14-13-10(16)7-3-2-4-7/h5-7H,2-4H2,1H3,(H,13,16)(H,14,17).
What are the key properties of 4-chloro-N'-(cyclobutanecarbonyl)-1-methylpyrrole-2-carbohydrazide?
4-chloro-N'-(cyclobutanecarbonyl)-1-methylpyrrole-2-carbohydrazide has a molecular weight of 255.70 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(cyclobutanecarbonyl)-1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 42573577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).