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

C9H10N4O — CID 91057220

IUPAC2-[5-(methoxymethyl)pyrazol-1-yl]pyrimidine
SMILESCOCc1ccnn1-c1ncccn1
InChIInChI=1S/C9H10N4O/c1-14-7-8-3-6-12-13(8)9-10-4-2-5-11-9/h2-6H,7H2,1H3
InChIKeyXJACAWPTUAVHNE-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.81
Rot. Bonds3

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

2-[5-(methoxymethyl)pyrazol-1-yl]pyrimidine (PubChem CID 91057220) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)pyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[5-(methoxymethyl)pyrazol-1-yl]pyrimidine
PubChem CID91057220
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name2-[5-(methoxymethyl)pyrazol-1-yl]pyrimidine
SMILESCOCc1ccnn1-c1ncccn1
InChIInChI=1S/C9H10N4O/c1-14-7-8-3-6-12-13(8)9-10-4-2-5-11-9/h2-6H,7H2,1H3
InChIKeyXJACAWPTUAVHNE-UHFFFAOYSA-N
XLogP0.81
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)pyrazol-1-yl]pyrimidine?
The IUPAC name of 2-[5-(methoxymethyl)pyrazol-1-yl]pyrimidine (CID 91057220) is 2-[5-(methoxymethyl)pyrazol-1-yl]pyrimidine.
What is the SMILES notation for 2-[5-(methoxymethyl)pyrazol-1-yl]pyrimidine?
The canonical SMILES for 2-[5-(methoxymethyl)pyrazol-1-yl]pyrimidine is COCc1ccnn1-c1ncccn1.
What is the InChIKey of 2-[5-(methoxymethyl)pyrazol-1-yl]pyrimidine?
The InChIKey is XJACAWPTUAVHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-14-7-8-3-6-12-13(8)9-10-4-2-5-11-9/h2-6H,7H2,1H3.
What are the key properties of 2-[5-(methoxymethyl)pyrazol-1-yl]pyrimidine?
2-[5-(methoxymethyl)pyrazol-1-yl]pyrimidine has a molecular weight of 190.21 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethyl)pyrazol-1-yl]pyrimidine is sourced from PubChem (CID 91057220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).