1-methyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide

C17H18N4O — CID 19474638

IUPAC1-methyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(C)c1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C17H18N4O/c1-13(19-17(22)15-11-18-20(2)12-15)14-5-7-16(8-6-14)21-9-3-4-10-21/h3-13H,1-2H3,(H,19,22)
InChIKeyYTDOFLCNMYYLRA-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.70
Rot. Bonds4

About 1-methyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide

1-methyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide (PubChem CID 19474638) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-methyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
PubChem CID19474638
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name1-methyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(C)c1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C17H18N4O/c1-13(19-17(22)15-11-18-20(2)12-15)14-5-7-16(8-6-14)21-9-3-4-10-21/h3-13H,1-2H3,(H,19,22)
InChIKeyYTDOFLCNMYYLRA-UHFFFAOYSA-N
XLogP2.70
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 55577942
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 96582836
1-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 71983829
N-[1-(3,4-difluorophenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 18112634
1-methyl-5-[[(1S)-1-(4-pyrrol-1-ylphenyl)ethyl]carbamoyl]pyrazole-4-carboxylic acid
CID 29096037
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-pyrrol-1-ylbenzamide
CID 51323882
1,3,5-trimethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 19281660
1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 27660239
N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide
CID 45153639
1-methyl-N-(3-pyrrol-1-ylphenyl)pyrazole-4-carboxamide
CID 110471452
3-cyano-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide
CID 56725041
1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen
CID 169175366

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide (CID 19474638) is 1-methyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide is CC(NC(=O)c1cnn(C)c1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of 1-methyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide?
The InChIKey is YTDOFLCNMYYLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-13(19-17(22)15-11-18-20(2)12-15)14-5-7-16(8-6-14)21-9-3-4-10-21/h3-13H,1-2H3,(H,19,22).
What are the key properties of 1-methyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide?
1-methyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 19474638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).