1-(phenoxymethyl)-N-pyridin-4-ylpyrazole-3-carboxamide

C16H14N4O2 — CID 19271051

IUPAC1-(phenoxymethyl)-N-pyridin-4-ylpyrazole-3-carboxamide
SMILESO=C(Nc1ccncc1)c1ccn(COc2ccccc2)n1
InChIInChI=1S/C16H14N4O2/c21-16(18-13-6-9-17-10-7-13)15-8-11-20(19-15)12-22-14-4-2-1-3-5-14/h1-11H,12H2,(H,17,18,21)
InChIKeyKHZAHHZZVSGZME-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.57
Rot. Bonds5

About 1-(phenoxymethyl)-N-pyridin-4-ylpyrazole-3-carboxamide

1-(phenoxymethyl)-N-pyridin-4-ylpyrazole-3-carboxamide (PubChem CID 19271051) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-(phenoxymethyl)-N-pyridin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(phenoxymethyl)-N-pyridin-4-ylpyrazole-3-carboxamide
PubChem CID19271051
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name1-(phenoxymethyl)-N-pyridin-4-ylpyrazole-3-carboxamide
SMILESO=C(Nc1ccncc1)c1ccn(COc2ccccc2)n1
InChIInChI=1S/C16H14N4O2/c21-16(18-13-6-9-17-10-7-13)15-8-11-20(19-15)12-22-14-4-2-1-3-5-14/h1-11H,12H2,(H,17,18,21)
InChIKeyKHZAHHZZVSGZME-UHFFFAOYSA-N
XLogP2.57
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chlorophenoxy)methyl]-N-(4-chlorophenyl)pyrazole-3-carboxamide
CID 17021150
2-[3-(pyridin-4-ylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19500075
1-[(4-tert-butylphenoxy)methyl]-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19273730
N-(3-hydroxyphenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273626
1-(phenoxymethyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 19581546
1-[(2-bromo-4-chlorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide
CID 19274382
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271029
N-(2,4-difluorophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19581536
N-(5-chloro-2-hydroxyphenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271046
1-[(2,3-dichlorophenoxy)methyl]-N-phenylpyrazole-3-carboxamide
CID 19269594
N-(1-benzyl-4-chloropyrazol-3-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271177
N-(3-methoxy-5-nitrophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271102

Frequently Asked Questions

What is the IUPAC name of 1-(phenoxymethyl)-N-pyridin-4-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(phenoxymethyl)-N-pyridin-4-ylpyrazole-3-carboxamide (CID 19271051) is 1-(phenoxymethyl)-N-pyridin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(phenoxymethyl)-N-pyridin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(phenoxymethyl)-N-pyridin-4-ylpyrazole-3-carboxamide is O=C(Nc1ccncc1)c1ccn(COc2ccccc2)n1.
What is the InChIKey of 1-(phenoxymethyl)-N-pyridin-4-ylpyrazole-3-carboxamide?
The InChIKey is KHZAHHZZVSGZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-16(18-13-6-9-17-10-7-13)15-8-11-20(19-15)12-22-14-4-2-1-3-5-14/h1-11H,12H2,(H,17,18,21).
What are the key properties of 1-(phenoxymethyl)-N-pyridin-4-ylpyrazole-3-carboxamide?
1-(phenoxymethyl)-N-pyridin-4-ylpyrazole-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenoxymethyl)-N-pyridin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 19271051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).