1,5-dimethyl-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-oxo-2-phenylpyrazole-4-carboxamide

C27H24N6O3 — CID 164608884

IUPAC1,5-dimethyl-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-oxo-2-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Oc3ccncc3-c3cnn(C)c3)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C27H24N6O3/c1-18-25(27(35)33(32(18)3)21-7-5-4-6-8-21)26(34)30-20-9-11-22(12-10-20)36-24-13-14-28-16-23(24)19-15-29-31(2)17-19/h4-17H,1-3H3,(H,30,34)
InChIKeyHBCUNKIUAMVGBA-UHFFFAOYSA-N
MW480.53 g/mol
LogP4.32
Rot. Bonds6

About 1,5-dimethyl-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-oxo-2-phenylpyrazole-4-carboxamide

1,5-dimethyl-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-oxo-2-phenylpyrazole-4-carboxamide (PubChem CID 164608884) has the molecular formula C27H24N6O3 and a molecular weight of 480.53 g/mol. Its IUPAC name is 1,5-dimethyl-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-oxo-2-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-oxo-2-phenylpyrazole-4-carboxamide
PubChem CID164608884
Molecular FormulaC27H24N6O3
Molecular Weight480.53 g/mol
Exact Mass480.19
IUPAC Name1,5-dimethyl-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-oxo-2-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Oc3ccncc3-c3cnn(C)c3)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C27H24N6O3/c1-18-25(27(35)33(32(18)3)21-7-5-4-6-8-21)26(34)30-20-9-11-22(12-10-20)36-24-13-14-28-16-23(24)19-15-29-31(2)17-19/h4-17H,1-3H3,(H,30,34)
InChIKeyHBCUNKIUAMVGBA-UHFFFAOYSA-N
XLogP4.32
TPSA95.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[[2-(1,3-dimethylpyrazol-4-yl)-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 156138575
N-[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 156138911
N-(3-cyano-5-methyl-4-(4-phenoxyphenylamino)H-pyrrolo[1,2-b]pyridazin-6-yl)acetamide
CID 22179728
N-[[3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]carbamoyl]-2-(4-fluorophenyl)acetamide
CID 45378043
3-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-1-(oxan-4-ylmethyl)-2,4-dioxopyrimidine-5-carboxamide
CID 156138560
N-[4-[[2-(1-cyclopropylpyrazol-4-yl)-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 156138579
4-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3,5-dioxo-2-propan-2-yl-1,2,4-triazine-6-carboxamide
CID 156138583
N-[2,5-difluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 156138585
3-(4-fluorophenyl)-N-[3-methyl-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 156138595
3-(4-fluorophenyl)-N-[4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 156138597
N-[3,5-difluoro-4-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 156138619
3-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 156138905

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-oxo-2-phenylpyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-oxo-2-phenylpyrazole-4-carboxamide (CID 164608884) is 1,5-dimethyl-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-oxo-2-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-oxo-2-phenylpyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-oxo-2-phenylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(Oc3ccncc3-c3cnn(C)c3)cc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 1,5-dimethyl-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-oxo-2-phenylpyrazole-4-carboxamide?
The InChIKey is HBCUNKIUAMVGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O3/c1-18-25(27(35)33(32(18)3)21-7-5-4-6-8-21)26(34)30-20-9-11-22(12-10-20)36-24-13-14-28-16-23(24)19-15-29-31(2)17-19/h4-17H,1-3H3,(H,30,34).
What are the key properties of 1,5-dimethyl-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-oxo-2-phenylpyrazole-4-carboxamide?
1,5-dimethyl-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-oxo-2-phenylpyrazole-4-carboxamide has a molecular weight of 480.53 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3-oxo-2-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 164608884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).