4-cyclopentyl-2-(1H-pyrazol-4-yl)pyrimidine

C12H14N4 — CID 56866307

IUPAC4-cyclopentyl-2-(1H-pyrazol-4-yl)pyrimidine
SMILESc1cc(C2CCCC2)nc(-c2cn[nH]c2)n1
InChIInChI=1S/C12H14N4/c1-2-4-9(3-1)11-5-6-13-12(16-11)10-7-14-15-8-10/h5-9H,1-4H2,(H,14,15)
InChIKeyVHPYUROPNBLKTR-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.52
Rot. Bonds2

About 4-cyclopentyl-2-(1H-pyrazol-4-yl)pyrimidine

4-cyclopentyl-2-(1H-pyrazol-4-yl)pyrimidine (PubChem CID 56866307) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-cyclopentyl-2-(1H-pyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-cyclopentyl-2-(1H-pyrazol-4-yl)pyrimidine
PubChem CID56866307
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name4-cyclopentyl-2-(1H-pyrazol-4-yl)pyrimidine
SMILESc1cc(C2CCCC2)nc(-c2cn[nH]c2)n1
InChIInChI=1S/C12H14N4/c1-2-4-9(3-1)11-5-6-13-12(16-11)10-7-14-15-8-10/h5-9H,1-4H2,(H,14,15)
InChIKeyVHPYUROPNBLKTR-UHFFFAOYSA-N
XLogP2.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-(1H-pyrazol-4-yl)pyrimidine?
The IUPAC name of 4-cyclopentyl-2-(1H-pyrazol-4-yl)pyrimidine (CID 56866307) is 4-cyclopentyl-2-(1H-pyrazol-4-yl)pyrimidine.
What is the SMILES notation for 4-cyclopentyl-2-(1H-pyrazol-4-yl)pyrimidine?
The canonical SMILES for 4-cyclopentyl-2-(1H-pyrazol-4-yl)pyrimidine is c1cc(C2CCCC2)nc(-c2cn[nH]c2)n1.
What is the InChIKey of 4-cyclopentyl-2-(1H-pyrazol-4-yl)pyrimidine?
The InChIKey is VHPYUROPNBLKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-2-4-9(3-1)11-5-6-13-12(16-11)10-7-14-15-8-10/h5-9H,1-4H2,(H,14,15).
What are the key properties of 4-cyclopentyl-2-(1H-pyrazol-4-yl)pyrimidine?
4-cyclopentyl-2-(1H-pyrazol-4-yl)pyrimidine has a molecular weight of 214.27 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-(1H-pyrazol-4-yl)pyrimidine is sourced from PubChem (CID 56866307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).