2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide

C24H23N5O4 — CID 155810551

IUPAC2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide
SMILESCOc1ccc(Oc2nccc(-c3cn(CC(N)=O)nc3-c3cc(C)cc(OC)c3)n2)cc1
InChIInChI=1S/C24H23N5O4/c1-15-10-16(12-19(11-15)32-3)23-20(13-29(28-23)14-22(25)30)21-8-9-26-24(27-21)33-18-6-4-17(31-2)5-7-18/h4-13H,14H2,1-3H3,(H2,25,30)
InChIKeyDEVVDTYRVFMHPN-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.61
Rot. Bonds8

About 2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide

2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide (PubChem CID 155810551) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is 2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide
PubChem CID155810551
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC Name2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide
SMILESCOc1ccc(Oc2nccc(-c3cn(CC(N)=O)nc3-c3cc(C)cc(OC)c3)n2)cc1
InChIInChI=1S/C24H23N5O4/c1-15-10-16(12-19(11-15)32-3)23-20(13-29(28-23)14-22(25)30)21-8-9-26-24(27-21)33-18-6-4-17(31-2)5-7-18/h4-13H,14H2,1-3H3,(H2,25,30)
InChIKeyDEVVDTYRVFMHPN-UHFFFAOYSA-N
XLogP3.61
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]acetamide
CID 71166874
2-[4-[2-(3-acetylphenyl)-4-pyridinyl]-3-(3-hydroxy-5-methylphenyl)pyrazol-1-yl]acetonitrile;2-[4-[2-(3-acetylphenyl)-4-pyridinyl]-3-(3-methoxy-5-methylphenyl)pyrazol-1-yl]acetonitrile;methylsulfanylmethane;trifluoroborane
CID 159768853
4-[3-(3-chloro-5-methoxyphenyl)-1-(3-chloropropyl)pyrazol-4-yl]pyrimidine
CID 68839829
4-[3-(3-chloro-5-methoxyphenyl)-1-methylpyrazol-4-yl]-N-methylpyrimidin-2-amine
CID 68836788
4-(2,4-dimethoxyphenyl)pyrimidine-2-carboxamide
CID 116904018
2-(3,5-dimethoxyphenoxy)pyrimidine-4-carboxylic acid
CID 107554624
6-methoxy-2-(3-methoxy-5-methylphenyl)-3-methylquinoline
CID 58871272
2-(2-amino-2-oxoethyl)-6-(3-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid
CID 100785224
2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetamide
CID 155541088
4-(3-methoxy-5-methylphenoxy)-2-(4-methoxyphenyl)pyridine
CID 71450079
2-[4-[2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-[[(2S)-2-hydroxypropyl]amino]pyrimidin-4-yl]-3-(3-methoxy-5-methylphenyl)pyrazol-1-yl]acetonitrile
CID 142725406
2-(3,5-dimethoxyphenoxy)pyrimidin-4-amine
CID 116797544

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide (CID 155810551) is 2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide is COc1ccc(Oc2nccc(-c3cn(CC(N)=O)nc3-c3cc(C)cc(OC)c3)n2)cc1.
What is the InChIKey of 2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide?
The InChIKey is DEVVDTYRVFMHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-15-10-16(12-19(11-15)32-3)23-20(13-29(28-23)14-22(25)30)21-8-9-26-24(27-21)33-18-6-4-17(31-2)5-7-18/h4-13H,14H2,1-3H3,(H2,25,30).
What are the key properties of 2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide?
2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide has a molecular weight of 445.48 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxy-5-methylphenyl)-4-[2-(4-methoxyphenoxy)pyrimidin-4-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 155810551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).