1,3,5-trimethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide

C19H22N4O — CID 19281660

IUPAC1,3,5-trimethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NC(C)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C19H22N4O/c1-13(20-19(24)18-14(2)21-22(4)15(18)3)16-7-9-17(10-8-16)23-11-5-6-12-23/h5-13H,1-4H3,(H,20,24)
InChIKeyCLBCQXRQJNGALG-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.32
Rot. Bonds4

About 1,3,5-trimethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide

1,3,5-trimethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide (PubChem CID 19281660) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
PubChem CID19281660
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1,3,5-trimethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NC(C)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C19H22N4O/c1-13(20-19(24)18-14(2)21-22(4)15(18)3)16-7-9-17(10-8-16)23-11-5-6-12-23/h5-13H,1-4H3,(H,20,24)
InChIKeyCLBCQXRQJNGALG-UHFFFAOYSA-N
XLogP3.32
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.32
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
3-methyl-1-(4-methylphenyl)-N-(1-phenylethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915134
2,5-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 19481371
5-methoxy-1,3-dimethyl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 95990127
2-oxo-N-(1-phenylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 84962872
1-methyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 19474638
1-methyl-5-[[(1S)-1-(4-pyrrol-1-ylphenyl)ethyl]carbamoyl]pyrazole-4-carboxylic acid
CID 29096037
2-chloro-6-fluoro-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide
CID 56725306
N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide
CID 45153639
N-but-3-yn-2-yl-1,3,5-trimethylpyrazole-4-carboxamide
CID 114389977
4-chloro-1-ethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 19263417
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]furan-2-carboxamide
CID 19448493

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide (CID 19281660) is 1,3,5-trimethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NC(C)c1ccc(-n2cccc2)cc1.
What is the InChIKey of 1,3,5-trimethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide?
The InChIKey is CLBCQXRQJNGALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13(20-19(24)18-14(2)21-22(4)15(18)3)16-7-9-17(10-8-16)23-11-5-6-12-23/h5-13H,1-4H3,(H,20,24).
What are the key properties of 1,3,5-trimethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide?
1,3,5-trimethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 19281660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).