4-chloro-2-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidine

C11H13ClN4 — CID 95732733

IUPAC4-chloro-2-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidine
SMILESCC(C)Cn1cc(-c2nccc(Cl)n2)cn1
InChIInChI=1S/C11H13ClN4/c1-8(2)6-16-7-9(5-14-16)11-13-4-3-10(12)15-11/h3-5,7-8H,6H2,1-2H3
InChIKeyBXXANZDTWJHNBJ-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.65
Rot. Bonds3

About 4-chloro-2-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidine

4-chloro-2-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidine (PubChem CID 95732733) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 4-chloro-2-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidine
PubChem CID95732733
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name4-chloro-2-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidine
SMILESCC(C)Cn1cc(-c2nccc(Cl)n2)cn1
InChIInChI=1S/C11H13ClN4/c1-8(2)6-16-7-9(5-14-16)11-13-4-3-10(12)15-11/h3-5,7-8H,6H2,1-2H3
InChIKeyBXXANZDTWJHNBJ-UHFFFAOYSA-N
XLogP2.65
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidine?
The IUPAC name of 4-chloro-2-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidine (CID 95732733) is 4-chloro-2-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidine.
What is the SMILES notation for 4-chloro-2-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidine?
The canonical SMILES for 4-chloro-2-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidine is CC(C)Cn1cc(-c2nccc(Cl)n2)cn1.
What is the InChIKey of 4-chloro-2-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidine?
The InChIKey is BXXANZDTWJHNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-8(2)6-16-7-9(5-14-16)11-13-4-3-10(12)15-11/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 4-chloro-2-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidine?
4-chloro-2-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidine has a molecular weight of 236.71 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidine is sourced from PubChem (CID 95732733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).