1-benzyl-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide

C27H30N4O — CID 34463265

IUPAC1-benzyl-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cc(C)n(Cc2ccccc2)c1C
InChIInChI=1S/C27H30N4O/c1-19-15-25(21(3)30(19)17-23-11-7-5-8-12-23)27(32)28-16-26-20(2)29-31(22(26)4)18-24-13-9-6-10-14-24/h5-15H,16-18H2,1-4H3,(H,28,32)
InChIKeyIOUIVZSHHGZBDE-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.94
Rot. Bonds7

About 1-benzyl-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide

1-benzyl-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 34463265) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is 1-benzyl-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide
PubChem CID34463265
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC Name1-benzyl-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cc(C)n(Cc2ccccc2)c1C
InChIInChI=1S/C27H30N4O/c1-19-15-25(21(3)30(19)17-23-11-7-5-8-12-23)27(32)28-16-26-20(2)29-31(22(26)4)18-24-13-9-6-10-14-24/h5-15H,16-18H2,1-4H3,(H,28,32)
InChIKeyIOUIVZSHHGZBDE-UHFFFAOYSA-N
XLogP4.94
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 24532851
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26956926
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-tert-butylbenzamide
CID 8943315
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 8944173
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 35437972
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 31312075
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-chloropyridine-4-carboxamide
CID 34306724
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]urea
CID 78879963
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-nitrobenzamide
CID 17499102
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-cyanophenyl)benzamide
CID 17393796
1-benzyl-2,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 34438181
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-chlorothiophene-2-carboxamide
CID 8943603

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide (CID 34463265) is 1-benzyl-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1cc(C)n(Cc2ccccc2)c1C.
What is the InChIKey of 1-benzyl-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is IOUIVZSHHGZBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O/c1-19-15-25(21(3)30(19)17-23-11-7-5-8-12-23)27(32)28-16-26-20(2)29-31(22(26)4)18-24-13-9-6-10-14-24/h5-15H,16-18H2,1-4H3,(H,28,32).
What are the key properties of 1-benzyl-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide?
1-benzyl-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 34463265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).