1-benzyl-2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-carboxamide

C19H22N4O — CID 86979094

IUPAC1-benzyl-2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccnn2C)c(C)n1Cc1ccccc1
InChIInChI=1S/C19H22N4O/c1-14-11-18(19(24)20-12-17-9-10-21-22(17)3)15(2)23(14)13-16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3,(H,20,24)
InChIKeyWTOLMLRIXNABBQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.82
Rot. Bonds5

About 1-benzyl-2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-carboxamide

1-benzyl-2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-carboxamide (PubChem CID 86979094) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-benzyl-2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-carboxamide
PubChem CID86979094
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1-benzyl-2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccnn2C)c(C)n1Cc1ccccc1
InChIInChI=1S/C19H22N4O/c1-14-11-18(19(24)20-12-17-9-10-21-22(17)3)15(2)23(14)13-16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3,(H,20,24)
InChIKeyWTOLMLRIXNABBQ-UHFFFAOYSA-N
XLogP2.82
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-aminopyrimidin-2-yl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 75447829
1-benzyl-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 34463265
N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119383546
1-benzyl-2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide
CID 75511767
1-benzyl-2,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 34438181
1,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19279664
N-(2-amino-2-ethylbutyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119641511
N-[(3-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 86983262
1-benzyl-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrrole-3-carboxamide
CID 47086922
1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 47108355
N-[(4-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 39878072
1-benzyl-2,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrole-3-carboxamide
CID 55602871

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-carboxamide?
The IUPAC name of 1-benzyl-2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-carboxamide (CID 86979094) is 1-benzyl-2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-benzyl-2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-benzyl-2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-carboxamide is Cc1cc(C(=O)NCc2ccnn2C)c(C)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-carboxamide?
The InChIKey is WTOLMLRIXNABBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14-11-18(19(24)20-12-17-9-10-21-22(17)3)15(2)23(14)13-16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3,(H,20,24).
What are the key properties of 1-benzyl-2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-carboxamide?
1-benzyl-2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 86979094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).