2-(1-cyclopentylsulfonylpyrazol-4-yl)pyrimidin-4-amine

C12H15N5O2S — CID 167425927

IUPAC2-(1-cyclopentylsulfonylpyrazol-4-yl)pyrimidin-4-amine
SMILESNc1ccnc(-c2cnn(S(=O)(=O)C3CCCC3)c2)n1
InChIInChI=1S/C12H15N5O2S/c13-11-5-6-14-12(16-11)9-7-15-17(8-9)20(18,19)10-3-1-2-4-10/h5-8,10H,1-4H2,(H2,13,14,16)
InChIKeyTYOLSQMMTBOXPN-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.04
Rot. Bonds3

About 2-(1-cyclopentylsulfonylpyrazol-4-yl)pyrimidin-4-amine

2-(1-cyclopentylsulfonylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 167425927) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-(1-cyclopentylsulfonylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-cyclopentylsulfonylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID167425927
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name2-(1-cyclopentylsulfonylpyrazol-4-yl)pyrimidin-4-amine
SMILESNc1ccnc(-c2cnn(S(=O)(=O)C3CCCC3)c2)n1
InChIInChI=1S/C12H15N5O2S/c13-11-5-6-14-12(16-11)9-7-15-17(8-9)20(18,19)10-3-1-2-4-10/h5-8,10H,1-4H2,(H2,13,14,16)
InChIKeyTYOLSQMMTBOXPN-UHFFFAOYSA-N
XLogP1.04
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylsulfonylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-(1-cyclopentylsulfonylpyrazol-4-yl)pyrimidin-4-amine (CID 167425927) is 2-(1-cyclopentylsulfonylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(1-cyclopentylsulfonylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(1-cyclopentylsulfonylpyrazol-4-yl)pyrimidin-4-amine is Nc1ccnc(-c2cnn(S(=O)(=O)C3CCCC3)c2)n1.
What is the InChIKey of 2-(1-cyclopentylsulfonylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is TYOLSQMMTBOXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c13-11-5-6-14-12(16-11)9-7-15-17(8-9)20(18,19)10-3-1-2-4-10/h5-8,10H,1-4H2,(H2,13,14,16).
What are the key properties of 2-(1-cyclopentylsulfonylpyrazol-4-yl)pyrimidin-4-amine?
2-(1-cyclopentylsulfonylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 293.35 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylsulfonylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 167425927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).