1-(phenoxymethyl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide

C23H22N4O2 — CID 19271197

IUPAC1-(phenoxymethyl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
SMILESCC(NC(=O)c1ccn(COc2ccccc2)n1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C23H22N4O2/c1-18(19-8-7-9-20(16-19)26-13-5-6-14-26)24-23(28)22-12-15-27(25-22)17-29-21-10-3-2-4-11-21/h2-16,18H,17H2,1H3,(H,24,28)
InChIKeyOKJNDTRCVNXDOQ-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.20
Rot. Bonds7

About 1-(phenoxymethyl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide

1-(phenoxymethyl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide (PubChem CID 19271197) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-(phenoxymethyl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(phenoxymethyl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
PubChem CID19271197
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name1-(phenoxymethyl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
SMILESCC(NC(=O)c1ccn(COc2ccccc2)n1)c1cccc(-n2cccc2)c1
InChIInChI=1S/C23H22N4O2/c1-18(19-8-7-9-20(16-19)26-13-5-6-14-26)24-23(28)22-12-15-27(25-22)17-29-21-10-3-2-4-11-21/h2-16,18H,17H2,1H3,(H,24,28)
InChIKeyOKJNDTRCVNXDOQ-UHFFFAOYSA-N
XLogP4.20
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,5-dimethylphenoxy)methyl]-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 19276292
1-[(4-tert-butylphenoxy)methyl]-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 19273693
1-(phenoxymethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide
CID 19271107
1-[(2-nitrophenoxy)methyl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 19274107
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 75358425
2,5-dimethyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide
CID 19481371
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19469126
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 35325388
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-phenyltriazole-4-carboxamide
CID 46469924
N-[1-(1,3-benzoxazol-2-yl)ethyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 110278748
1-(phenoxymethyl)-N-pyridin-4-ylpyrazole-3-carboxamide
CID 19271051
1-[2-oxo-2-[1-(4-pyrrol-1-ylphenyl)ethylamino]ethyl]pyrazole-3-carboxylic acid
CID 19502242

Frequently Asked Questions

What is the IUPAC name of 1-(phenoxymethyl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(phenoxymethyl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide (CID 19271197) is 1-(phenoxymethyl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(phenoxymethyl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(phenoxymethyl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide is CC(NC(=O)c1ccn(COc2ccccc2)n1)c1cccc(-n2cccc2)c1.
What is the InChIKey of 1-(phenoxymethyl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide?
The InChIKey is OKJNDTRCVNXDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-18(19-8-7-9-20(16-19)26-13-5-6-14-26)24-23(28)22-12-15-27(25-22)17-29-21-10-3-2-4-11-21/h2-16,18H,17H2,1H3,(H,24,28).
What are the key properties of 1-(phenoxymethyl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide?
1-(phenoxymethyl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenoxymethyl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19271197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).