1-phenyl-3-pyridin-3-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide

C27H21N5O2 — CID 55804567

IUPAC1-phenyl-3-pyridin-3-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(OCc2cccnc2)c1)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C27H21N5O2/c33-27(30-22-9-4-12-24(15-22)34-19-20-7-5-13-28-16-20)25-18-32(23-10-2-1-3-11-23)31-26(25)21-8-6-14-29-17-21/h1-18H,19H2,(H,30,33)
InChIKeyLXHHBILCHWYKLH-UHFFFAOYSA-N
MW447.50 g/mol
LogP5.16
Rot. Bonds7

About 1-phenyl-3-pyridin-3-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide

1-phenyl-3-pyridin-3-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide (PubChem CID 55804567) has the molecular formula C27H21N5O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is 1-phenyl-3-pyridin-3-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-3-pyridin-3-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide
PubChem CID55804567
Molecular FormulaC27H21N5O2
Molecular Weight447.50 g/mol
Exact Mass447.17
IUPAC Name1-phenyl-3-pyridin-3-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(OCc2cccnc2)c1)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C27H21N5O2/c33-27(30-22-9-4-12-24(15-22)34-19-20-7-5-13-28-16-20)25-18-32(23-10-2-1-3-11-23)31-26(25)21-8-6-14-29-17-21/h1-18H,19H2,(H,30,33)
InChIKeyLXHHBILCHWYKLH-UHFFFAOYSA-N
XLogP5.16
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.50
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55901579
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 46527452
N-[4-(furan-2-carbonylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 42014114
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55501342
1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55969423
N-[4-(cyclopentylmethylamino)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 56533831
2-(4-phenylphenyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 52655964
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55877892
1-phenyl-N'-[2-(2-phenylphenoxy)acetyl]-3-pyridin-3-ylpyrazole-4-carbohydrazide
CID 27568435
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55906395
N-(3-chlorophenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide
CID 166184461
N-(2,3-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8714286

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-pyridin-3-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-3-pyridin-3-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide (CID 55804567) is 1-phenyl-3-pyridin-3-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-3-pyridin-3-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-3-pyridin-3-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide is O=C(Nc1cccc(OCc2cccnc2)c1)c1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of 1-phenyl-3-pyridin-3-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide?
The InChIKey is LXHHBILCHWYKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O2/c33-27(30-22-9-4-12-24(15-22)34-19-20-7-5-13-28-16-20)25-18-32(23-10-2-1-3-11-23)31-26(25)21-8-6-14-29-17-21/h1-18H,19H2,(H,30,33).
What are the key properties of 1-phenyl-3-pyridin-3-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide?
1-phenyl-3-pyridin-3-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-pyridin-3-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55804567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).