2-[5-(1-methoxyethyl)pyrazol-1-yl]pyrimidine

C10H12N4O — CID 90710835

IUPAC2-[5-(1-methoxyethyl)pyrazol-1-yl]pyrimidine
SMILESCOC(C)c1ccnn1-c1ncccn1
InChIInChI=1S/C10H12N4O/c1-8(15-2)9-4-7-13-14(9)10-11-5-3-6-12-10/h3-8H,1-2H3
InChIKeyFZDOFRNPFGOHHP-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.37
Rot. Bonds3

About 2-[5-(1-methoxyethyl)pyrazol-1-yl]pyrimidine

2-[5-(1-methoxyethyl)pyrazol-1-yl]pyrimidine (PubChem CID 90710835) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[5-(1-methoxyethyl)pyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[5-(1-methoxyethyl)pyrazol-1-yl]pyrimidine
PubChem CID90710835
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-[5-(1-methoxyethyl)pyrazol-1-yl]pyrimidine
SMILESCOC(C)c1ccnn1-c1ncccn1
InChIInChI=1S/C10H12N4O/c1-8(15-2)9-4-7-13-14(9)10-11-5-3-6-12-10/h3-8H,1-2H3
InChIKeyFZDOFRNPFGOHHP-UHFFFAOYSA-N
XLogP1.37
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-methoxyethyl)pyrazol-1-yl]pyrimidine?
The IUPAC name of 2-[5-(1-methoxyethyl)pyrazol-1-yl]pyrimidine (CID 90710835) is 2-[5-(1-methoxyethyl)pyrazol-1-yl]pyrimidine.
What is the SMILES notation for 2-[5-(1-methoxyethyl)pyrazol-1-yl]pyrimidine?
The canonical SMILES for 2-[5-(1-methoxyethyl)pyrazol-1-yl]pyrimidine is COC(C)c1ccnn1-c1ncccn1.
What is the InChIKey of 2-[5-(1-methoxyethyl)pyrazol-1-yl]pyrimidine?
The InChIKey is FZDOFRNPFGOHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-8(15-2)9-4-7-13-14(9)10-11-5-3-6-12-10/h3-8H,1-2H3.
What are the key properties of 2-[5-(1-methoxyethyl)pyrazol-1-yl]pyrimidine?
2-[5-(1-methoxyethyl)pyrazol-1-yl]pyrimidine has a molecular weight of 204.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-methoxyethyl)pyrazol-1-yl]pyrimidine is sourced from PubChem (CID 90710835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).