N'-(4-butylbenzoyl)-1H-pyrrole-2-carbohydrazide

C16H19N3O2 — CID 8968206

IUPACN'-(4-butylbenzoyl)-1H-pyrrole-2-carbohydrazide
SMILESCCCCc1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1
InChIInChI=1S/C16H19N3O2/c1-2-3-5-12-7-9-13(10-8-12)15(20)18-19-16(21)14-6-4-11-17-14/h4,6-11,17H,2-3,5H2,1H3,(H,18,20)(H,19,21)
InChIKeyQYXBXSLHXGMDDY-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.43
Rot. Bonds5

About N'-(4-butylbenzoyl)-1H-pyrrole-2-carbohydrazide

N'-(4-butylbenzoyl)-1H-pyrrole-2-carbohydrazide (PubChem CID 8968206) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N'-(4-butylbenzoyl)-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-(4-butylbenzoyl)-1H-pyrrole-2-carbohydrazide
PubChem CID8968206
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN'-(4-butylbenzoyl)-1H-pyrrole-2-carbohydrazide
SMILESCCCCc1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1
InChIInChI=1S/C16H19N3O2/c1-2-3-5-12-7-9-13(10-8-12)15(20)18-19-16(21)14-6-4-11-17-14/h4,6-11,17H,2-3,5H2,1H3,(H,18,20)(H,19,21)
InChIKeyQYXBXSLHXGMDDY-UHFFFAOYSA-N
XLogP2.43
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 4296967
N'-dodecanoyl-4-heptylbenzohydrazide
CID 3103832
[(4-pentylbenzoyl)amino]thiourea
CID 2743438
1-[(4-butylbenzoyl)amino]-3-(2-fluorophenyl)thiourea
CID 9085190
N'-[3-(4-methoxyphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 78815963
(4-butylphenyl)-(4-hydroxyphenyl)methanone
CID 22132679
[(4-hexylbenzoyl)amino]thiourea
CID 86158248
N'-(4-hexylbenzoyl)furan-2-carbohydrazide
CID 6733621
N'-(4-butylbenzoyl)-5-[[3-[[(4-butylbenzoyl)amino]carbamoyl]-4-hydroxyphenyl]methyl]-2-hydroxybenzohydrazide
CID 101304313
N'-hydroxy-4-propylbenzohydrazide
CID 18359035
N-[2-[2-(4-butylbenzoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 9089374
(4-propylphenyl)-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816607

Frequently Asked Questions

What is the IUPAC name of N'-(4-butylbenzoyl)-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-(4-butylbenzoyl)-1H-pyrrole-2-carbohydrazide (CID 8968206) is N'-(4-butylbenzoyl)-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-(4-butylbenzoyl)-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-(4-butylbenzoyl)-1H-pyrrole-2-carbohydrazide is CCCCc1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1.
What is the InChIKey of N'-(4-butylbenzoyl)-1H-pyrrole-2-carbohydrazide?
The InChIKey is QYXBXSLHXGMDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-3-5-12-7-9-13(10-8-12)15(20)18-19-16(21)14-6-4-11-17-14/h4,6-11,17H,2-3,5H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4-butylbenzoyl)-1H-pyrrole-2-carbohydrazide?
N'-(4-butylbenzoyl)-1H-pyrrole-2-carbohydrazide has a molecular weight of 285.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butylbenzoyl)-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 8968206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).