methyl 3-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propanoate

C15H20N4O2 — CID 79826607

IUPACmethyl 3-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propanoate
SMILESCOC(=O)CCc1c(C)nn(-c2cc(C)nc(C)n2)c1C
InChIInChI=1S/C15H20N4O2/c1-9-8-14(17-12(4)16-9)19-11(3)13(10(2)18-19)6-7-15(20)21-5/h8H,6-7H2,1-5H3
InChIKeySGATXWWCRJDJDR-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.00
Rot. Bonds4

About methyl 3-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propanoate

methyl 3-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propanoate (PubChem CID 79826607) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 3-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propanoate
PubChem CID79826607
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Namemethyl 3-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propanoate
SMILESCOC(=O)CCc1c(C)nn(-c2cc(C)nc(C)n2)c1C
InChIInChI=1S/C15H20N4O2/c1-9-8-14(17-12(4)16-9)19-11(3)13(10(2)18-19)6-7-15(20)21-5/h8H,6-7H2,1-5H3
InChIKeySGATXWWCRJDJDR-UHFFFAOYSA-N
XLogP2.00
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]propanoate
CID 61381036
methyl 3-[1-[4-(dimethylaminocarbamoyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 9180457
(2-amino-2-oxoethyl) 4-[4-(3-methoxy-3-oxopropyl)-3,5-dimethylpyrazol-1-yl]benzoate
CID 9065250
methyl 4-[[2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]butanoate
CID 31855694
methyl 3-[3,5-dimethyl-1-[4-[methyl(phenyl)carbamoyl]phenyl]pyrazol-4-yl]propanoate
CID 39965080
methyl 3-[3,5-dimethyl-1-[4-[[2-methyl-4-(methylcarbamoyl)phenyl]carbamoyl]phenyl]pyrazol-4-yl]propanoate
CID 46465185
methyl 3-[1-[4-(1-adamantylcarbamoyl)phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 18275290
methyl 3-[3,5-dimethyl-1-[4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]pyrazol-4-yl]propanoate
CID 55383468
methyl 3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanoate
CID 63272411
2-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 79822255
methyl 3-[1-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 26312265
methyl 3-[1-[4-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 9470585

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propanoate?
The IUPAC name of methyl 3-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propanoate (CID 79826607) is methyl 3-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propanoate is COC(=O)CCc1c(C)nn(-c2cc(C)nc(C)n2)c1C.
What is the InChIKey of methyl 3-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propanoate?
The InChIKey is SGATXWWCRJDJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-9-8-14(17-12(4)16-9)19-11(3)13(10(2)18-19)6-7-15(20)21-5/h8H,6-7H2,1-5H3.
What are the key properties of methyl 3-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propanoate?
methyl 3-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propanoate has a molecular weight of 288.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(2,6-dimethylpyrimidin-4-yl)-3,5-dimethylpyrazol-4-yl]propanoate is sourced from PubChem (CID 79826607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).