1-methyl-N-[(4-phenoxyphenyl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide

C22H20N4O2 — CID 60618949

IUPAC1-methyl-N-[(4-phenoxyphenyl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCc2ccc(Oc3ccccc3)cc2)c1-n1cccc1
InChIInChI=1S/C22H20N4O2/c1-25-22(26-13-5-6-14-26)20(16-24-25)21(27)23-15-17-9-11-19(12-10-17)28-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H,23,27)
InChIKeyNAFOBTACJROJQV-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.93
Rot. Bonds6

About 1-methyl-N-[(4-phenoxyphenyl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide

1-methyl-N-[(4-phenoxyphenyl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 60618949) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-methyl-N-[(4-phenoxyphenyl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(4-phenoxyphenyl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID60618949
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name1-methyl-N-[(4-phenoxyphenyl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCc2ccc(Oc3ccccc3)cc2)c1-n1cccc1
InChIInChI=1S/C22H20N4O2/c1-25-22(26-13-5-6-14-26)20(16-24-25)21(27)23-15-17-9-11-19(12-10-17)28-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H,23,27)
InChIKeyNAFOBTACJROJQV-UHFFFAOYSA-N
XLogP3.93
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 100634698
5-amino-N-benzyl-1-methylpyrazole-4-carboxamide
CID 13174826
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 86822466
N-(3-butoxypropyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38028641
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39436447
N-benzyl-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 46585795
N-(3-methoxyphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 2809038
N-(4-hydroxy-2,2-dimethylbutyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 103772991
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38094875
(2R)-2-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 54991451
3-methyl-3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 64671878
1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 87047264

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-phenoxyphenyl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(4-phenoxyphenyl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 60618949) is 1-methyl-N-[(4-phenoxyphenyl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(4-phenoxyphenyl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(4-phenoxyphenyl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide is Cn1ncc(C(=O)NCc2ccc(Oc3ccccc3)cc2)c1-n1cccc1.
What is the InChIKey of 1-methyl-N-[(4-phenoxyphenyl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is NAFOBTACJROJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-25-22(26-13-5-6-14-26)20(16-24-25)21(27)23-15-17-9-11-19(12-10-17)28-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3,(H,23,27).
What are the key properties of 1-methyl-N-[(4-phenoxyphenyl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-methyl-N-[(4-phenoxyphenyl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-phenoxyphenyl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 60618949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).