methyl 4-(1-ethylpyrazol-4-yl)oxy-2-methylpyrimidine-5-carboxylate

C12H14N4O3 — CID 114213943

IUPACmethyl 4-(1-ethylpyrazol-4-yl)oxy-2-methylpyrimidine-5-carboxylate
SMILESCCn1cc(Oc2nc(C)ncc2C(=O)OC)cn1
InChIInChI=1S/C12H14N4O3/c1-4-16-7-9(5-14-16)19-11-10(12(17)18-3)6-13-8(2)15-11/h5-7H,4H2,1-3H3
InChIKeyHWFQTJZYVCYQKA-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.58
Rot. Bonds4

About methyl 4-(1-ethylpyrazol-4-yl)oxy-2-methylpyrimidine-5-carboxylate

methyl 4-(1-ethylpyrazol-4-yl)oxy-2-methylpyrimidine-5-carboxylate (PubChem CID 114213943) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is methyl 4-(1-ethylpyrazol-4-yl)oxy-2-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-ethylpyrazol-4-yl)oxy-2-methylpyrimidine-5-carboxylate
PubChem CID114213943
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Namemethyl 4-(1-ethylpyrazol-4-yl)oxy-2-methylpyrimidine-5-carboxylate
SMILESCCn1cc(Oc2nc(C)ncc2C(=O)OC)cn1
InChIInChI=1S/C12H14N4O3/c1-4-16-7-9(5-14-16)19-11-10(12(17)18-3)6-13-8(2)15-11/h5-7H,4H2,1-3H3
InChIKeyHWFQTJZYVCYQKA-UHFFFAOYSA-N
XLogP1.58
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-ethylpyrazol-4-yl)oxy-2-methylpyrimidine-5-carboxylate?
The IUPAC name of methyl 4-(1-ethylpyrazol-4-yl)oxy-2-methylpyrimidine-5-carboxylate (CID 114213943) is methyl 4-(1-ethylpyrazol-4-yl)oxy-2-methylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-(1-ethylpyrazol-4-yl)oxy-2-methylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-(1-ethylpyrazol-4-yl)oxy-2-methylpyrimidine-5-carboxylate is CCn1cc(Oc2nc(C)ncc2C(=O)OC)cn1.
What is the InChIKey of methyl 4-(1-ethylpyrazol-4-yl)oxy-2-methylpyrimidine-5-carboxylate?
The InChIKey is HWFQTJZYVCYQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-4-16-7-9(5-14-16)19-11-10(12(17)18-3)6-13-8(2)15-11/h5-7H,4H2,1-3H3.
What are the key properties of methyl 4-(1-ethylpyrazol-4-yl)oxy-2-methylpyrimidine-5-carboxylate?
methyl 4-(1-ethylpyrazol-4-yl)oxy-2-methylpyrimidine-5-carboxylate has a molecular weight of 262.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-ethylpyrazol-4-yl)oxy-2-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 114213943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).