5-pyridin-3-yl-N-(3-pyridin-4-yloxyphenyl)-1H-pyrazole-4-carboxamide

C20H15N5O2 — CID 166203360

IUPAC5-pyridin-3-yl-N-(3-pyridin-4-yloxyphenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(Oc2ccncc2)c1)c1cn[nH]c1-c1cccnc1
InChIInChI=1S/C20H15N5O2/c26-20(18-13-23-25-19(18)14-3-2-8-22-12-14)24-15-4-1-5-17(11-15)27-16-6-9-21-10-7-16/h1-13H,(H,23,25)(H,24,26)
InChIKeyDDCFBUQVOZJVIF-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.91
Rot. Bonds5

About 5-pyridin-3-yl-N-(3-pyridin-4-yloxyphenyl)-1H-pyrazole-4-carboxamide

5-pyridin-3-yl-N-(3-pyridin-4-yloxyphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 166203360) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 5-pyridin-3-yl-N-(3-pyridin-4-yloxyphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-pyridin-3-yl-N-(3-pyridin-4-yloxyphenyl)-1H-pyrazole-4-carboxamide
PubChem CID166203360
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name5-pyridin-3-yl-N-(3-pyridin-4-yloxyphenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(Oc2ccncc2)c1)c1cn[nH]c1-c1cccnc1
InChIInChI=1S/C20H15N5O2/c26-20(18-13-23-25-19(18)14-3-2-8-22-12-14)24-15-4-1-5-17(11-15)27-16-6-9-21-10-7-16/h1-13H,(H,23,25)(H,24,26)
InChIKeyDDCFBUQVOZJVIF-UHFFFAOYSA-N
XLogP3.91
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17487935
N-(2-hydroxyphenyl)-5-pyridin-3-yl-1H-pyrazole-4-carboxamide
CID 167900619
N-(3-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 78836023
2-oxo-N-(3-phenoxyphenyl)-5-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 58692554
N-[3-(1H-pyrazol-4-yl)phenyl]-2-pyridin-3-yloxybenzamide
CID 71906378
N-(3-bromophenyl)-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 53087479
3-chloro-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337765
5-(4-fluorophenyl)-N-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-4-carboxamide
CID 167960338
N-phenyl-5-pyridin-3-yl-1H-indazole-7-carboxamide
CID 59023819
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide
CID 155944607
N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 20773471
N-[4-[3-[4-(pyridine-4-carbonylamino)phenoxy]phenoxy]phenyl]pyridine-4-carboxamide
CID 1376699

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-N-(3-pyridin-4-yloxyphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-pyridin-3-yl-N-(3-pyridin-4-yloxyphenyl)-1H-pyrazole-4-carboxamide (CID 166203360) is 5-pyridin-3-yl-N-(3-pyridin-4-yloxyphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-pyridin-3-yl-N-(3-pyridin-4-yloxyphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-pyridin-3-yl-N-(3-pyridin-4-yloxyphenyl)-1H-pyrazole-4-carboxamide is O=C(Nc1cccc(Oc2ccncc2)c1)c1cn[nH]c1-c1cccnc1.
What is the InChIKey of 5-pyridin-3-yl-N-(3-pyridin-4-yloxyphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is DDCFBUQVOZJVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c26-20(18-13-23-25-19(18)14-3-2-8-22-12-14)24-15-4-1-5-17(11-15)27-16-6-9-21-10-7-16/h1-13H,(H,23,25)(H,24,26).
What are the key properties of 5-pyridin-3-yl-N-(3-pyridin-4-yloxyphenyl)-1H-pyrazole-4-carboxamide?
5-pyridin-3-yl-N-(3-pyridin-4-yloxyphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-N-(3-pyridin-4-yloxyphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 166203360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).