2-[3-(2-methylpropyl)pyrazol-1-yl]pyrimidine

C11H14N4 — CID 20771879

IUPAC2-[3-(2-methylpropyl)pyrazol-1-yl]pyrimidine
SMILESCC(C)Cc1ccn(-c2ncccn2)n1
InChIInChI=1S/C11H14N4/c1-9(2)8-10-4-7-15(14-10)11-12-5-3-6-13-11/h3-7,9H,8H2,1-2H3
InChIKeyDSXWKNGFQXGENH-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.86
Rot. Bonds3

About 2-[3-(2-methylpropyl)pyrazol-1-yl]pyrimidine

2-[3-(2-methylpropyl)pyrazol-1-yl]pyrimidine (PubChem CID 20771879) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)pyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)pyrazol-1-yl]pyrimidine
PubChem CID20771879
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-[3-(2-methylpropyl)pyrazol-1-yl]pyrimidine
SMILESCC(C)Cc1ccn(-c2ncccn2)n1
InChIInChI=1S/C11H14N4/c1-9(2)8-10-4-7-15(14-10)11-12-5-3-6-13-11/h3-7,9H,8H2,1-2H3
InChIKeyDSXWKNGFQXGENH-UHFFFAOYSA-N
XLogP1.86
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropyl)pyrazol-1-yl]pyrimidine?
The IUPAC name of 2-[3-(2-methylpropyl)pyrazol-1-yl]pyrimidine (CID 20771879) is 2-[3-(2-methylpropyl)pyrazol-1-yl]pyrimidine.
What is the SMILES notation for 2-[3-(2-methylpropyl)pyrazol-1-yl]pyrimidine?
The canonical SMILES for 2-[3-(2-methylpropyl)pyrazol-1-yl]pyrimidine is CC(C)Cc1ccn(-c2ncccn2)n1.
What is the InChIKey of 2-[3-(2-methylpropyl)pyrazol-1-yl]pyrimidine?
The InChIKey is DSXWKNGFQXGENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-9(2)8-10-4-7-15(14-10)11-12-5-3-6-13-11/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-[3-(2-methylpropyl)pyrazol-1-yl]pyrimidine?
2-[3-(2-methylpropyl)pyrazol-1-yl]pyrimidine has a molecular weight of 202.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropyl)pyrazol-1-yl]pyrimidine is sourced from PubChem (CID 20771879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).