1-[(3,5-dimethylphenoxy)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide

C25H26N4O2 — CID 19276292

IUPAC1-[(3,5-dimethylphenoxy)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
SMILESCc1cc(C)cc(OCn2ccc(C(=O)NC(C)c3cccc(-n4cccc4)c3)n2)c1
InChIInChI=1S/C25H26N4O2/c1-18-13-19(2)15-23(14-18)31-17-29-12-9-24(27-29)25(30)26-20(3)21-7-6-8-22(16-21)28-10-4-5-11-28/h4-16,20H,17H2,1-3H3,(H,26,30)
InChIKeyWQXUAJSFNKRYOO-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.82
Rot. Bonds7

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

1-[(3,5-dimethylphenoxy)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide (PubChem CID 19276292) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenoxy)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethylphenoxy)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
PubChem CID19276292
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name1-[(3,5-dimethylphenoxy)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
SMILESCc1cc(C)cc(OCn2ccc(C(=O)NC(C)c3cccc(-n4cccc4)c3)n2)c1
InChIInChI=1S/C25H26N4O2/c1-18-13-19(2)15-23(14-18)31-17-29-12-9-24(27-29)25(30)26-20(3)21-7-6-8-22(16-21)28-10-4-5-11-28/h4-16,20H,17H2,1-3H3,(H,26,30)
InChIKeyWQXUAJSFNKRYOO-UHFFFAOYSA-N
XLogP4.82
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(phenoxymethyl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 19271197
N-[1-(1,3-benzoxazol-2-yl)ethyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 110278748
1-[(3,5-dimethylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19276180
1-[(4-tert-butylphenoxy)methyl]-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 19273693
1-[(3,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)pyrazole-3-carboxamide
CID 19276149
2,5-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 19481371
1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxylate
CID 7017316
1-[(2-nitrophenoxy)methyl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 19274107
N-[2-(diethylamino)ethyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 19276378
1-[(3,5-dimethylphenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19276281
4-methoxy-3-[(3-methylphenoxy)methyl]-N-[(1S)-1-(3-pyrrol-1-ylphenyl)ethyl]benzamide
CID 51851467
1-(phenoxymethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide
CID 19271107

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenoxy)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(3,5-dimethylphenoxy)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide (CID 19276292) is 1-[(3,5-dimethylphenoxy)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethylphenoxy)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(3,5-dimethylphenoxy)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide is Cc1cc(C)cc(OCn2ccc(C(=O)NC(C)c3cccc(-n4cccc4)c3)n2)c1.
What is the InChIKey of 1-[(3,5-dimethylphenoxy)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide?
The InChIKey is WQXUAJSFNKRYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-18-13-19(2)15-23(14-18)31-17-29-12-9-24(27-29)25(30)26-20(3)21-7-6-8-22(16-21)28-10-4-5-11-28/h4-16,20H,17H2,1-3H3,(H,26,30).
What are the key properties of 1-[(3,5-dimethylphenoxy)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide?
1-[(3,5-dimethylphenoxy)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenoxy)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19276292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).