4-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]pyrimidine

C12H16N4 — CID 163407295

IUPAC4-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]pyrimidine
SMILESCCC(C)(C)c1cc(-c2ccncn2)n[nH]1
InChIInChI=1S/C12H16N4/c1-4-12(2,3)11-7-10(15-16-11)9-5-6-13-8-14-9/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyUQZHXNSLFVWYMG-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.55
Rot. Bonds3

About 4-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]pyrimidine

4-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]pyrimidine (PubChem CID 163407295) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 4-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]pyrimidine.

Molecular Properties

Compound Name4-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]pyrimidine
PubChem CID163407295
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name4-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]pyrimidine
SMILESCCC(C)(C)c1cc(-c2ccncn2)n[nH]1
InChIInChI=1S/C12H16N4/c1-4-12(2,3)11-7-10(15-16-11)9-5-6-13-8-14-9/h5-8H,4H2,1-3H3,(H,15,16)
InChIKeyUQZHXNSLFVWYMG-UHFFFAOYSA-N
XLogP2.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]pyrimidine?
The IUPAC name of 4-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]pyrimidine (CID 163407295) is 4-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]pyrimidine.
What is the SMILES notation for 4-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]pyrimidine?
The canonical SMILES for 4-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]pyrimidine is CCC(C)(C)c1cc(-c2ccncn2)n[nH]1.
What is the InChIKey of 4-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]pyrimidine?
The InChIKey is UQZHXNSLFVWYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-4-12(2,3)11-7-10(15-16-11)9-5-6-13-8-14-9/h5-8H,4H2,1-3H3,(H,15,16).
What are the key properties of 4-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]pyrimidine?
4-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]pyrimidine has a molecular weight of 216.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methylbutan-2-yl)-1H-pyrazol-3-yl]pyrimidine is sourced from PubChem (CID 163407295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).