methyl 4-(4-methylsulfonylpyrazol-1-yl)pyrimidine-5-carboxylate

C10H10N4O4S — CID 165472274

IUPACmethyl 4-(4-methylsulfonylpyrazol-1-yl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cncnc1-n1cc(S(C)(=O)=O)cn1
InChIInChI=1S/C10H10N4O4S/c1-18-10(15)8-4-11-6-12-9(8)14-5-7(3-13-14)19(2,16)17/h3-6H,1-2H3
InChIKeyOWUAAAPKBHCMGH-UHFFFAOYSA-N
MW282.28 g/mol
LogP-0.15
Rot. Bonds3

About methyl 4-(4-methylsulfonylpyrazol-1-yl)pyrimidine-5-carboxylate

methyl 4-(4-methylsulfonylpyrazol-1-yl)pyrimidine-5-carboxylate (PubChem CID 165472274) has the molecular formula C10H10N4O4S and a molecular weight of 282.28 g/mol. Its IUPAC name is methyl 4-(4-methylsulfonylpyrazol-1-yl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-methylsulfonylpyrazol-1-yl)pyrimidine-5-carboxylate
PubChem CID165472274
Molecular FormulaC10H10N4O4S
Molecular Weight282.28 g/mol
Exact Mass282.04
IUPAC Namemethyl 4-(4-methylsulfonylpyrazol-1-yl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cncnc1-n1cc(S(C)(=O)=O)cn1
InChIInChI=1S/C10H10N4O4S/c1-18-10(15)8-4-11-6-12-9(8)14-5-7(3-13-14)19(2,16)17/h3-6H,1-2H3
InChIKeyOWUAAAPKBHCMGH-UHFFFAOYSA-N
XLogP-0.15
TPSA104.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-fluoro-2-(4-methylsulfonylpyrazol-1-yl)pyridine-4-carboxylic acid
CID 165472351
methyl 4-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-5-carboxylate
CID 114214390
methyl 4-(3,3-dimethylpiperidin-1-yl)pyrimidine-5-carboxylate
CID 114214438
methyl 4-[3-(oxetan-3-ylamino)azetidin-1-yl]pyrimidine-5-carboxylate
CID 154788139
methyl 4-methylsulfanylpyrimidine-5-carboxylate
CID 130484620
4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine-5-carboxylic acid
CID 114213803
methyl 4-(2,4-dimethyl-1,4-diazepan-1-yl)pyrimidine-5-carboxylate
CID 114214778
lithium;alumane;hydride;(4-methoxypyrimidin-5-yl)methanol;methyl 4-methoxypyrimidine-5-carboxylate
CID 161326129
methyl 5-hydroxy-4-methylpyridine-3-carboxylate
CID 130115769
methyl 5-methylsulfonylpyridine-3-carboxylate
CID 23436925
methyl 2-amino-5-(4-methylsulfonylphenyl)pyridine-4-carboxylate
CID 172649603
5-bromo-4-(4-methylsulfonylpyrazol-1-yl)pyridin-3-amine
CID 165481641

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methylsulfonylpyrazol-1-yl)pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-(4-methylsulfonylpyrazol-1-yl)pyrimidine-5-carboxylate (CID 165472274) is methyl 4-(4-methylsulfonylpyrazol-1-yl)pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-(4-methylsulfonylpyrazol-1-yl)pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-(4-methylsulfonylpyrazol-1-yl)pyrimidine-5-carboxylate is COC(=O)c1cncnc1-n1cc(S(C)(=O)=O)cn1.
What is the InChIKey of methyl 4-(4-methylsulfonylpyrazol-1-yl)pyrimidine-5-carboxylate?
The InChIKey is OWUAAAPKBHCMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4S/c1-18-10(15)8-4-11-6-12-9(8)14-5-7(3-13-14)19(2,16)17/h3-6H,1-2H3.
What are the key properties of methyl 4-(4-methylsulfonylpyrazol-1-yl)pyrimidine-5-carboxylate?
methyl 4-(4-methylsulfonylpyrazol-1-yl)pyrimidine-5-carboxylate has a molecular weight of 282.28 g/mol, XLogP of -0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methylsulfonylpyrazol-1-yl)pyrimidine-5-carboxylate is sourced from PubChem (CID 165472274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).