N-[4-fluoro-2-(oxan-4-yloxy)phenyl]-5-methyl-1-pyridin-4-ylpyrazole-4-carboxamide

C21H21FN4O3 — CID 154836290

IUPACN-[4-fluoro-2-(oxan-4-yloxy)phenyl]-5-methyl-1-pyridin-4-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2OC2CCOCC2)cnn1-c1ccncc1
InChIInChI=1S/C21H21FN4O3/c1-14-18(13-24-26(14)16-4-8-23-9-5-16)21(27)25-19-3-2-15(22)12-20(19)29-17-6-10-28-11-7-17/h2-5,8-9,12-13,17H,6-7,10-11H2,1H3,(H,25,27)
InChIKeyVXTVUXIBNJTKCT-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.52
Rot. Bonds5

About N-[4-fluoro-2-(oxan-4-yloxy)phenyl]-5-methyl-1-pyridin-4-ylpyrazole-4-carboxamide

N-[4-fluoro-2-(oxan-4-yloxy)phenyl]-5-methyl-1-pyridin-4-ylpyrazole-4-carboxamide (PubChem CID 154836290) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is N-[4-fluoro-2-(oxan-4-yloxy)phenyl]-5-methyl-1-pyridin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-2-(oxan-4-yloxy)phenyl]-5-methyl-1-pyridin-4-ylpyrazole-4-carboxamide
PubChem CID154836290
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC NameN-[4-fluoro-2-(oxan-4-yloxy)phenyl]-5-methyl-1-pyridin-4-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2OC2CCOCC2)cnn1-c1ccncc1
InChIInChI=1S/C21H21FN4O3/c1-14-18(13-24-26(14)16-4-8-23-9-5-16)21(27)25-19-3-2-15(22)12-20(19)29-17-6-10-28-11-7-17/h2-5,8-9,12-13,17H,6-7,10-11H2,1H3,(H,25,27)
InChIKeyVXTVUXIBNJTKCT-UHFFFAOYSA-N
XLogP3.52
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 46583862
N-(4-fluoro-2-methoxyphenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 32612173
5-[(2-cyclopentyloxy-4-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 146137008
1-(4-fluorophenyl)-5-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide
CID 45255298
4-[4-fluoro-2-(oxan-4-yloxy)anilino]cyclohexane-1-carboxylic acid
CID 122034174
N-[4-fluoro-2-(oxan-4-yloxy)phenyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 167872778
2-amino-N-(2-cyclopentyloxy-4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 166391536
N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 136577209
4-[[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542330
N-(4-fluoro-2-methoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86988601
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride
CID 69184943
1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 119387105

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-2-(oxan-4-yloxy)phenyl]-5-methyl-1-pyridin-4-ylpyrazole-4-carboxamide?
The IUPAC name of N-[4-fluoro-2-(oxan-4-yloxy)phenyl]-5-methyl-1-pyridin-4-ylpyrazole-4-carboxamide (CID 154836290) is N-[4-fluoro-2-(oxan-4-yloxy)phenyl]-5-methyl-1-pyridin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-fluoro-2-(oxan-4-yloxy)phenyl]-5-methyl-1-pyridin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-fluoro-2-(oxan-4-yloxy)phenyl]-5-methyl-1-pyridin-4-ylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(F)cc2OC2CCOCC2)cnn1-c1ccncc1.
What is the InChIKey of N-[4-fluoro-2-(oxan-4-yloxy)phenyl]-5-methyl-1-pyridin-4-ylpyrazole-4-carboxamide?
The InChIKey is VXTVUXIBNJTKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-14-18(13-24-26(14)16-4-8-23-9-5-16)21(27)25-19-3-2-15(22)12-20(19)29-17-6-10-28-11-7-17/h2-5,8-9,12-13,17H,6-7,10-11H2,1H3,(H,25,27).
What are the key properties of N-[4-fluoro-2-(oxan-4-yloxy)phenyl]-5-methyl-1-pyridin-4-ylpyrazole-4-carboxamide?
N-[4-fluoro-2-(oxan-4-yloxy)phenyl]-5-methyl-1-pyridin-4-ylpyrazole-4-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-2-(oxan-4-yloxy)phenyl]-5-methyl-1-pyridin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 154836290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).