2-(1-methylpyrrol-2-yl)-N-(1-phenylpyrazol-3-yl)acetamide

C16H16N4O — CID 135315845

IUPAC2-(1-methylpyrrol-2-yl)-N-(1-phenylpyrazol-3-yl)acetamide
SMILESCn1cccc1CC(=O)Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C16H16N4O/c1-19-10-5-8-14(19)12-16(21)17-15-9-11-20(18-15)13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,17,18,21)
InChIKeyQERDGRBQHGXBKY-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.39
Rot. Bonds4

About 2-(1-methylpyrrol-2-yl)-N-(1-phenylpyrazol-3-yl)acetamide

2-(1-methylpyrrol-2-yl)-N-(1-phenylpyrazol-3-yl)acetamide (PubChem CID 135315845) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(1-methylpyrrol-2-yl)-N-(1-phenylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-methylpyrrol-2-yl)-N-(1-phenylpyrazol-3-yl)acetamide
PubChem CID135315845
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-(1-methylpyrrol-2-yl)-N-(1-phenylpyrazol-3-yl)acetamide
SMILESCn1cccc1CC(=O)Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C16H16N4O/c1-19-10-5-8-14(19)12-16(21)17-15-9-11-20(18-15)13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,17,18,21)
InChIKeyQERDGRBQHGXBKY-UHFFFAOYSA-N
XLogP2.39
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-(1-methylpyrrol-2-yl)acetamide
CID 135315887
3-methyl-N-(1-phenylpyrazol-3-yl)butanamide
CID 110470740
2-(2,6-difluorophenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135316122
N-(1-phenylpyrazol-3-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
CID 135315885
2-(3,4-dimethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135315862
3-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)propanamide
CID 55536355
2-(3-fluoro-4-methoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135315910
2-(2-bromo-4,5-diethoxyphenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 55537078
N-[1-(3-hydroxypropyl)pyrazol-3-yl]-2-(1-phenylpyrazol-3-yl)acetamide
CID 166379982
1-[[2-(1-methylpyrrol-2-yl)acetyl]amino]-3-phenylurea
CID 1225228
phenyl N-(1-phenylpyrazol-3-yl)carbamate
CID 110472459
3-(3-methylphenyl)-N-(1-phenylpyrazol-3-yl)propanamide
CID 55547813

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrol-2-yl)-N-(1-phenylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(1-methylpyrrol-2-yl)-N-(1-phenylpyrazol-3-yl)acetamide (CID 135315845) is 2-(1-methylpyrrol-2-yl)-N-(1-phenylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(1-methylpyrrol-2-yl)-N-(1-phenylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(1-methylpyrrol-2-yl)-N-(1-phenylpyrazol-3-yl)acetamide is Cn1cccc1CC(=O)Nc1ccn(-c2ccccc2)n1.
What is the InChIKey of 2-(1-methylpyrrol-2-yl)-N-(1-phenylpyrazol-3-yl)acetamide?
The InChIKey is QERDGRBQHGXBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-19-10-5-8-14(19)12-16(21)17-15-9-11-20(18-15)13-6-3-2-4-7-13/h2-11H,12H2,1H3,(H,17,18,21).
What are the key properties of 2-(1-methylpyrrol-2-yl)-N-(1-phenylpyrazol-3-yl)acetamide?
2-(1-methylpyrrol-2-yl)-N-(1-phenylpyrazol-3-yl)acetamide has a molecular weight of 280.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrol-2-yl)-N-(1-phenylpyrazol-3-yl)acetamide is sourced from PubChem (CID 135315845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).