1-methyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]pyrrole-2-carboxamide

C15H17N7O — CID 78896414

IUPAC1-methyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCCNc1nnnn1-c1ccccc1
InChIInChI=1S/C15H17N7O/c1-21-11-5-8-13(21)14(23)16-9-10-17-15-18-19-20-22(15)12-6-3-2-4-7-12/h2-8,11H,9-10H2,1H3,(H,16,23)(H,17,18,20)
InChIKeyLAGOGXDBXZPLQJ-UHFFFAOYSA-N
MW311.35 g/mol
LogP0.84
Rot. Bonds6

About 1-methyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]pyrrole-2-carboxamide

1-methyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]pyrrole-2-carboxamide (PubChem CID 78896414) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 1-methyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]pyrrole-2-carboxamide
PubChem CID78896414
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name1-methyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCCNc1nnnn1-c1ccccc1
InChIInChI=1S/C15H17N7O/c1-21-11-5-8-13(21)14(23)16-9-10-17-15-18-19-20-22(15)12-6-3-2-4-7-12/h2-8,11H,9-10H2,1H3,(H,16,23)(H,17,18,20)
InChIKeyLAGOGXDBXZPLQJ-UHFFFAOYSA-N
XLogP0.84
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-methyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[(1-phenyltetrazol-5-yl)amino]propanoate
CID 60631997
9-oxo-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]fluorene-2-carboxamide
CID 86887275
trans-(1S,2S)-2-phenyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]cyclopropane-1-carboxamide
CID 95568786
N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine
CID 24707793
1-(3,4-dichlorophenyl)-3-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]urea
CID 78896471
N-[2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethyl]pyridine-3-carboxamide
CID 60521247
6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyrazine-2-carboxamide
CID 133412546
1-(3-chlorophenyl)-3-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]urea
CID 78896470
N-(2-methylsulfonylphenyl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
CID 133412491
ethane;1-methyl-N-propylpyrrole-2-carboxamide
CID 143101069
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-1-methylpyrrole-2-carboxamide
CID 11855263
N-(1-phenyltetrazol-5-yl)-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 133412509

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]pyrrole-2-carboxamide (CID 78896414) is 1-methyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]pyrrole-2-carboxamide is Cn1cccc1C(=O)NCCNc1nnnn1-c1ccccc1.
What is the InChIKey of 1-methyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]pyrrole-2-carboxamide?
The InChIKey is LAGOGXDBXZPLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-21-11-5-8-13(21)14(23)16-9-10-17-15-18-19-20-22(15)12-6-3-2-4-7-12/h2-8,11H,9-10H2,1H3,(H,16,23)(H,17,18,20).
What are the key properties of 1-methyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]pyrrole-2-carboxamide?
1-methyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]pyrrole-2-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 78896414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).