2,5-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide

C18H20N4O — CID 19481371

IUPAC2,5-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cccc(-n3cccc3)c2)n(C)n1
InChIInChI=1S/C18H20N4O/c1-13-11-17(21(3)20-13)18(23)19-14(2)15-7-6-8-16(12-15)22-9-4-5-10-22/h4-12,14H,1-3H3,(H,19,23)
InChIKeyINBVEKQHMUSMIM-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.01
Rot. Bonds4

About 2,5-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide (PubChem CID 19481371) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
PubChem CID19481371
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2,5-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cccc(-n3cccc3)c2)n(C)n1
InChIInChI=1S/C18H20N4O/c1-13-11-17(21(3)20-13)18(23)19-14(2)15-7-6-8-16(12-15)22-9-4-5-10-22/h4-12,14H,1-3H3,(H,19,23)
InChIKeyINBVEKQHMUSMIM-UHFFFAOYSA-N
XLogP3.01
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,6-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823350
1,6-dimethyl-N-[(1R)-1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 51854349
N-benzhydryl-2,5-dimethylpyrazole-3-carboxamide
CID 87023695
1,3,5-trimethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 19281660
2,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazole-3-carboxamide
CID 78905447
4-chloro-N-[1-(3-pyrrol-1-ylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 19479372
1-[(3,5-dimethylphenoxy)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 19276292
1-(phenoxymethyl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 19271197
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide
CID 19519226
N-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide
CID 175743937
3-(4-tert-butylphenyl)-1-methyl-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide
CID 93014229
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide
CID 19523453

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide (CID 19481371) is 2,5-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NC(C)c2cccc(-n3cccc3)c2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide?
The InChIKey is INBVEKQHMUSMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-11-17(21(3)20-13)18(23)19-14(2)15-7-6-8-16(12-15)22-9-4-5-10-22/h4-12,14H,1-3H3,(H,19,23).
What are the key properties of 2,5-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19481371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).