ethyl 3-[[1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]amino]propanoate

C22H25N5O5 — CID 42167362

IUPACethyl 3-[[1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1cnn(-c2nccc(-c3cc(OC)ccc3OC)n2)c1C
InChIInChI=1S/C22H25N5O5/c1-5-32-20(28)9-11-23-21(29)17-13-25-27(14(17)2)22-24-10-8-18(26-22)16-12-15(30-3)6-7-19(16)31-4/h6-8,10,12-13H,5,9,11H2,1-4H3,(H,23,29)
InChIKeyQSLLWPZPQUHARZ-UHFFFAOYSA-N
MW439.47 g/mol
LogP2.34
Rot. Bonds9

About ethyl 3-[[1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]amino]propanoate

ethyl 3-[[1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]amino]propanoate (PubChem CID 42167362) has the molecular formula C22H25N5O5 and a molecular weight of 439.47 g/mol. Its IUPAC name is ethyl 3-[[1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]amino]propanoate
PubChem CID42167362
Molecular FormulaC22H25N5O5
Molecular Weight439.47 g/mol
Exact Mass439.19
IUPAC Nameethyl 3-[[1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1cnn(-c2nccc(-c3cc(OC)ccc3OC)n2)c1C
InChIInChI=1S/C22H25N5O5/c1-5-32-20(28)9-11-23-21(29)17-13-25-27(14(17)2)22-24-10-8-18(26-22)16-12-15(30-3)6-7-19(16)31-4/h6-8,10,12-13H,5,9,11H2,1-4H3,(H,23,29)
InChIKeyQSLLWPZPQUHARZ-UHFFFAOYSA-N
XLogP2.34
TPSA117.46 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 42172187
1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42166080
ethyl 3-[[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carbonyl]amino]propanoate
CID 26337146
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide
CID 26316917
5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(3-methoxypropyl)pyrazole-4-carboxamide
CID 42423261
5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 42480683
N-[2-(diethylamino)ethyl]-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carboxamide
CID 26348680
ethyl 3-[(2,4-dimethoxybenzoyl)amino]propanoate
CID 47437682
[5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]pyrazol-4-yl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 45248961
5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(2,2-dimethyloxan-4-yl)pyrazole-4-carboxamide
CID 45219720
1-[4-(furan-2-yl)pyrimidin-2-yl]-5-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 26320964
1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 166613247

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]amino]propanoate?
The IUPAC name of ethyl 3-[[1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]amino]propanoate (CID 42167362) is ethyl 3-[[1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]amino]propanoate is CCOC(=O)CCNC(=O)c1cnn(-c2nccc(-c3cc(OC)ccc3OC)n2)c1C.
What is the InChIKey of ethyl 3-[[1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]amino]propanoate?
The InChIKey is QSLLWPZPQUHARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5/c1-5-32-20(28)9-11-23-21(29)17-13-25-27(14(17)2)22-24-10-8-18(26-22)16-12-15(30-3)6-7-19(16)31-4/h6-8,10,12-13H,5,9,11H2,1-4H3,(H,23,29).
What are the key properties of ethyl 3-[[1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]amino]propanoate?
ethyl 3-[[1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]amino]propanoate has a molecular weight of 439.47 g/mol, XLogP of 2.34, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]amino]propanoate is sourced from PubChem (CID 42167362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).