ethyl 4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C19H22N4O4 — CID 166249619

IUPACethyl 4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)c(Cn2cccn2)c1
InChIInChI=1S/C19H22N4O4/c1-4-27-18(24)16-12(2)21-19(25)22-17(16)13-6-7-15(26-3)14(10-13)11-23-9-5-8-20-23/h5-10,17H,4,11H2,1-3H3,(H2,21,22,25)
InChIKeyGKVFJKBTQKXNMV-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.13
Rot. Bonds6

About ethyl 4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 166249619) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is ethyl 4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID166249619
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Nameethyl 4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)c(Cn2cccn2)c1
InChIInChI=1S/C19H22N4O4/c1-4-27-18(24)16-12(2)21-19(25)22-17(16)13-6-7-15(26-3)14(10-13)11-23-9-5-8-20-23/h5-10,17H,4,11H2,1-3H3,(H2,21,22,25)
InChIKeyGKVFJKBTQKXNMV-UHFFFAOYSA-N
XLogP2.13
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate with MolForge

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Related Compounds

ethyl (4S)-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1085505
ethyl (4S)-4-(3-hydroxy-4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 834816
ethyl (4S)-4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 803073
ethyl 4-(3,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 102414677
ethyl 4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2863237
ethyl 4-(3-cyclopentyloxy-4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 142652683
ethyl (4S)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 691118
(2S)-2-[4-[(4S)-5-ethoxycarbonyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]-2-methoxyphenoxy]propanoate
CID 7126638
ethyl 4-[3-[3-(diethylamino)-2-hydroxypropoxy]-4-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 10646534
ethyl (4S)-4-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1040720
ethyl (4R)-4-(3,4-dihydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7584002
pentyl 4-(3,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 3466442

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 166249619) is ethyl 4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)c(Cn2cccn2)c1.
What is the InChIKey of ethyl 4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is GKVFJKBTQKXNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-4-27-18(24)16-12(2)21-19(25)22-17(16)13-6-7-15(26-3)14(10-13)11-23-9-5-8-20-23/h5-10,17H,4,11H2,1-3H3,(H2,21,22,25).
What are the key properties of ethyl 4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 166249619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).