1-[(3-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide

C16H12ClFN4O2 — CID 4775217

IUPAC1-[(3-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide
SMILESO=C(Nc1ccncc1)c1ccn(COc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C16H12ClFN4O2/c17-13-9-12(1-2-14(13)18)24-10-22-8-5-15(21-22)16(23)20-11-3-6-19-7-4-11/h1-9H,10H2,(H,19,20,23)
InChIKeyRIZNDMCUOLQAMT-UHFFFAOYSA-N
MW346.75 g/mol
LogP3.36
Rot. Bonds5

About 1-[(3-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide

1-[(3-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide (PubChem CID 4775217) has the molecular formula C16H12ClFN4O2 and a molecular weight of 346.75 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide
PubChem CID4775217
Molecular FormulaC16H12ClFN4O2
Molecular Weight346.75 g/mol
Exact Mass346.06
IUPAC Name1-[(3-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide
SMILESO=C(Nc1ccncc1)c1ccn(COc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C16H12ClFN4O2/c17-13-9-12(1-2-14(13)18)24-10-22-8-5-15(21-22)16(23)20-11-3-6-19-7-4-11/h1-9H,10H2,(H,19,20,23)
InChIKeyRIZNDMCUOLQAMT-UHFFFAOYSA-N
XLogP3.36
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.75
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 5308364
N-(5-chloro-2-methoxyphenyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 16024877
N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 16024895
1-(2-(pyridin-4-yl)ethyl)-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-5-carboxamide
CID 44431899
1-(2-(pyridin-4-yl)ethyl)-N-(3-(trifluoromethoxy)phenyl)-1H-pyrazole-5-carboxamide
CID 44431900
N-(4-(chlorodifluoromethoxy)phenyl)-1-(2-(pyridin-4-yl)ethyl)-1H-pyrazole-5-carboxamide
CID 44431901
1-[(5-chloro-2-pyridinyl)methyl]-4-fluoro-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-3-carboxamide
CID 130313963
3-methyl-1-(2-(pyridin-4-yl)ethyl)-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-5-carboxamide
CID 44431915
1-[(2-Chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 4773972
3-(2-Chlorophenylcarbamoyl)-1H-pyrazole-1-carboxylic acid 4-chlorophenyl ester
CID 69633023
N-butan-2-yl-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19265186
1-[(4-fluorophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 19269279

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide?
The IUPAC name of 1-[(3-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide (CID 4775217) is 1-[(3-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(3-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide is O=C(Nc1ccncc1)c1ccn(COc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 1-[(3-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide?
The InChIKey is RIZNDMCUOLQAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O2/c17-13-9-12(1-2-14(13)18)24-10-22-8-5-15(21-22)16(23)20-11-3-6-19-7-4-11/h1-9H,10H2,(H,19,20,23).
What are the key properties of 1-[(3-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide?
1-[(3-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide has a molecular weight of 346.75 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenoxy)methyl]-N-pyridin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 4775217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).