N-(1-phenylethyl)-1H-pyrrole-2-carbohydrazide

C13H15N3O — CID 123208224

IUPACN-(1-phenylethyl)-1H-pyrrole-2-carbohydrazide
SMILESCC(c1ccccc1)N(N)C(=O)c1ccc[nH]1
InChIInChI=1S/C13H15N3O/c1-10(11-6-3-2-4-7-11)16(14)13(17)12-8-5-9-15-12/h2-10,15H,14H2,1H3
InChIKeyGTMNCHBHNICQEY-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.09
Rot. Bonds3

About N-(1-phenylethyl)-1H-pyrrole-2-carbohydrazide

N-(1-phenylethyl)-1H-pyrrole-2-carbohydrazide (PubChem CID 123208224) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(1-phenylethyl)-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN-(1-phenylethyl)-1H-pyrrole-2-carbohydrazide
PubChem CID123208224
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(1-phenylethyl)-1H-pyrrole-2-carbohydrazide
SMILESCC(c1ccccc1)N(N)C(=O)c1ccc[nH]1
InChIInChI=1S/C13H15N3O/c1-10(11-6-3-2-4-7-11)16(14)13(17)12-8-5-9-15-12/h2-10,15H,14H2,1H3
InChIKeyGTMNCHBHNICQEY-UHFFFAOYSA-N
XLogP2.09
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-phenyl-1-(1H-pyrrol-2-yl)pentan-1-one
CID 63750151
N-hydroxy-N-(1-phenylethyl)benzamide
CID 23260477
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 1H-pyrrole-2-carboxylate
CID 8544696
1,1-diaminourea;1-phenylethylbenzene
CID 174865335
(115N)1H-pyrrole-2-carboxylic acid
CID 58083588
N-(2-aminopropyl)-1H-pyrrole-2-carboxamide
CID 63732088
[2-(3,3-diphenylpropylamino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8546573
1,3-diamino-1-(4-bromophenyl)-3-(1-phenylethyl)urea
CID 146417690
N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
CID 71937517
methyl(1-phenylethyl)carbamic acid
CID 67062794
N,N-bis[(1R)-1-phenylethyl]acetamide
CID 10706954
N-propan-2-yl-1H-pyrrole-2-carboxamide
CID 18712343

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N-(1-phenylethyl)-1H-pyrrole-2-carbohydrazide (CID 123208224) is N-(1-phenylethyl)-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N-(1-phenylethyl)-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N-(1-phenylethyl)-1H-pyrrole-2-carbohydrazide is CC(c1ccccc1)N(N)C(=O)c1ccc[nH]1.
What is the InChIKey of N-(1-phenylethyl)-1H-pyrrole-2-carbohydrazide?
The InChIKey is GTMNCHBHNICQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10(11-6-3-2-4-7-11)16(14)13(17)12-8-5-9-15-12/h2-10,15H,14H2,1H3.
What are the key properties of N-(1-phenylethyl)-1H-pyrrole-2-carbohydrazide?
N-(1-phenylethyl)-1H-pyrrole-2-carbohydrazide has a molecular weight of 229.28 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 123208224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).