N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide

C16H20N6O2 — CID 53167969

IUPACN-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide
SMILESO=C(Nc1cnn(-c2ncc(N3CCCC3)cn2)c1)C1CCCO1
InChIInChI=1S/C16H20N6O2/c23-15(14-4-3-7-24-14)20-12-8-19-22(11-12)16-17-9-13(10-18-16)21-5-1-2-6-21/h8-11,14H,1-7H2,(H,20,23)
InChIKeyHCYLDKJSSHGBQJ-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.38
Rot. Bonds4

About N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide

N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide (PubChem CID 53167969) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide
PubChem CID53167969
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide
SMILESO=C(Nc1cnn(-c2ncc(N3CCCC3)cn2)c1)C1CCCO1
InChIInChI=1S/C16H20N6O2/c23-15(14-4-3-7-24-14)20-12-8-19-22(11-12)16-17-9-13(10-18-16)21-5-1-2-6-21/h8-11,14H,1-7H2,(H,20,23)
InChIKeyHCYLDKJSSHGBQJ-UHFFFAOYSA-N
XLogP1.38
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide?
The IUPAC name of N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide (CID 53167969) is N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide is O=C(Nc1cnn(-c2ncc(N3CCCC3)cn2)c1)C1CCCO1.
What is the InChIKey of N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide?
The InChIKey is HCYLDKJSSHGBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c23-15(14-4-3-7-24-14)20-12-8-19-22(11-12)16-17-9-13(10-18-16)21-5-1-2-6-21/h8-11,14H,1-7H2,(H,20,23).
What are the key properties of N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide?
N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]oxolane-2-carboxamide is sourced from PubChem (CID 53167969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).