(4-amino-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone

C17H14N2O — CID 3042145

IUPAC(4-amino-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)c[nH]c1-c1ccccc1
InChIInChI=1S/C17H14N2O/c18-15-14(17(20)13-9-5-2-6-10-13)11-19-16(15)12-7-3-1-4-8-12/h1-11,19H,18H2
InChIKeyGJPQJTDUFPATRC-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.49
Rot. Bonds3

About (4-amino-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone

(4-amino-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone (PubChem CID 3042145) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is (4-amino-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-amino-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone
PubChem CID3042145
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name(4-amino-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)c[nH]c1-c1ccccc1
InChIInChI=1S/C17H14N2O/c18-15-14(17(20)13-9-5-2-6-10-13)11-19-16(15)12-7-3-1-4-8-12/h1-11,19H,18H2
InChIKeyGJPQJTDUFPATRC-UHFFFAOYSA-N
XLogP3.49
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-aminophenyl)-phenylmethanone
CID 158207972
(2-aminophenyl)-phenylmethanone;diphenylmethanone
CID 90112643
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
(5-amino-4-prop-1-en-2-yl-1H-pyrrol-3-yl)-phenylmethanone
CID 123536363
5-benzoyl-6-oxo-2-phenyl-1H-pyridine-3-carbonitrile
CID 135018572
(4-amino-2,3-diphenylphenyl)-phenylmethanone
CID 70223924
(2,4-diamino-3-benzoylphenyl)-phenylmethanone
CID 70481575
(2-methyl-1H-pyrrol-3-yl)-phenylmethanone
CID 15883182
(2-iodophenyl)-(4-phenylphenyl)methanone
CID 43337741
diphenylmethanone
CID 3102
phenyl-(4-phenylphenyl)methanone
CID 155775877
[4-[(3-methylphenyl)methyl]-2-phenyl-1H-pyrrol-3-yl]-phenylmethanone
CID 102576385

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone?
The IUPAC name of (4-amino-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone (CID 3042145) is (4-amino-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone.
What is the SMILES notation for (4-amino-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone?
The canonical SMILES for (4-amino-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone is Nc1c(C(=O)c2ccccc2)c[nH]c1-c1ccccc1.
What is the InChIKey of (4-amino-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone?
The InChIKey is GJPQJTDUFPATRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c18-15-14(17(20)13-9-5-2-6-10-13)11-19-16(15)12-7-3-1-4-8-12/h1-11,19H,18H2.
What are the key properties of (4-amino-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone?
(4-amino-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone has a molecular weight of 262.31 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-phenyl-1H-pyrrol-3-yl)-phenylmethanone is sourced from PubChem (CID 3042145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).