4-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidine

C11H13N5 — CID 10680197

IUPAC4-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidine
SMILESc1cnn(-c2cc(N3CCCC3)ncn2)c1
InChIInChI=1S/C11H13N5/c1-2-6-15(5-1)10-8-11(13-9-12-10)16-7-3-4-14-16/h3-4,7-9H,1-2,5-6H2
InChIKeyIKEVEKNGCZABQU-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.26
Rot. Bonds2

About 4-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidine

4-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidine (PubChem CID 10680197) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidine
PubChem CID10680197
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name4-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidine
SMILESc1cnn(-c2cc(N3CCCC3)ncn2)c1
InChIInChI=1S/C11H13N5/c1-2-6-15(5-1)10-8-11(13-9-12-10)16-7-3-4-14-16/h3-4,7-9H,1-2,5-6H2
InChIKeyIKEVEKNGCZABQU-UHFFFAOYSA-N
XLogP1.26
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidine (CID 10680197) is 4-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidine is c1cnn(-c2cc(N3CCCC3)ncn2)c1.
What is the InChIKey of 4-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is IKEVEKNGCZABQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-2-6-15(5-1)10-8-11(13-9-12-10)16-7-3-4-14-16/h3-4,7-9H,1-2,5-6H2.
What are the key properties of 4-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidine?
4-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 215.26 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 10680197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).