1-(2-chloropyrimidin-4-yl)pyrazol-4-amine

C7H6ClN5 — CID 77230487

IUPAC1-(2-chloropyrimidin-4-yl)pyrazol-4-amine
SMILESNc1cnn(-c2ccnc(Cl)n2)c1
InChIInChI=1S/C7H6ClN5/c8-7-10-2-1-6(12-7)13-4-5(9)3-11-13/h1-4H,9H2
InChIKeyRFVGONHOFUELAH-UHFFFAOYSA-N
MW195.61 g/mol
LogP0.90
Rot. Bonds1

About 1-(2-chloropyrimidin-4-yl)pyrazol-4-amine

1-(2-chloropyrimidin-4-yl)pyrazol-4-amine (PubChem CID 77230487) has the molecular formula C7H6ClN5 and a molecular weight of 195.61 g/mol. Its IUPAC name is 1-(2-chloropyrimidin-4-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-chloropyrimidin-4-yl)pyrazol-4-amine
PubChem CID77230487
Molecular FormulaC7H6ClN5
Molecular Weight195.61 g/mol
Exact Mass195.03
IUPAC Name1-(2-chloropyrimidin-4-yl)pyrazol-4-amine
SMILESNc1cnn(-c2ccnc(Cl)n2)c1
InChIInChI=1S/C7H6ClN5/c8-7-10-2-1-6(12-7)13-4-5(9)3-11-13/h1-4H,9H2
InChIKeyRFVGONHOFUELAH-UHFFFAOYSA-N
XLogP0.90
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropyrimidin-4-yl)pyrazol-4-amine?
The IUPAC name of 1-(2-chloropyrimidin-4-yl)pyrazol-4-amine (CID 77230487) is 1-(2-chloropyrimidin-4-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-chloropyrimidin-4-yl)pyrazol-4-amine?
The canonical SMILES for 1-(2-chloropyrimidin-4-yl)pyrazol-4-amine is Nc1cnn(-c2ccnc(Cl)n2)c1.
What is the InChIKey of 1-(2-chloropyrimidin-4-yl)pyrazol-4-amine?
The InChIKey is RFVGONHOFUELAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5/c8-7-10-2-1-6(12-7)13-4-5(9)3-11-13/h1-4H,9H2.
What are the key properties of 1-(2-chloropyrimidin-4-yl)pyrazol-4-amine?
1-(2-chloropyrimidin-4-yl)pyrazol-4-amine has a molecular weight of 195.61 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropyrimidin-4-yl)pyrazol-4-amine is sourced from PubChem (CID 77230487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).