4-ethoxy-N-pyrazolo[1,5-a]pyrimidin-3-yloxane-4-carboxamide

C14H18N4O3 — CID 166315563

IUPAC4-ethoxy-N-pyrazolo[1,5-a]pyrimidin-3-yloxane-4-carboxamide
SMILESCCOC1(C(=O)Nc2cnn3cccnc23)CCOCC1
InChIInChI=1S/C14H18N4O3/c1-2-21-14(4-8-20-9-5-14)13(19)17-11-10-16-18-7-3-6-15-12(11)18/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,17,19)
InChIKeyHDTSDCLRCASZIJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.25
Rot. Bonds4

About 4-ethoxy-N-pyrazolo[1,5-a]pyrimidin-3-yloxane-4-carboxamide

4-ethoxy-N-pyrazolo[1,5-a]pyrimidin-3-yloxane-4-carboxamide (PubChem CID 166315563) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-ethoxy-N-pyrazolo[1,5-a]pyrimidin-3-yloxane-4-carboxamide.

Molecular Properties

Compound Name4-ethoxy-N-pyrazolo[1,5-a]pyrimidin-3-yloxane-4-carboxamide
PubChem CID166315563
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name4-ethoxy-N-pyrazolo[1,5-a]pyrimidin-3-yloxane-4-carboxamide
SMILESCCOC1(C(=O)Nc2cnn3cccnc23)CCOCC1
InChIInChI=1S/C14H18N4O3/c1-2-21-14(4-8-20-9-5-14)13(19)17-11-10-16-18-7-3-6-15-12(11)18/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,17,19)
InChIKeyHDTSDCLRCASZIJ-UHFFFAOYSA-N
XLogP1.25
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-pyrazolo[1,5-a]pyrimidin-3-yloxane-4-carboxamide?
The IUPAC name of 4-ethoxy-N-pyrazolo[1,5-a]pyrimidin-3-yloxane-4-carboxamide (CID 166315563) is 4-ethoxy-N-pyrazolo[1,5-a]pyrimidin-3-yloxane-4-carboxamide.
What is the SMILES notation for 4-ethoxy-N-pyrazolo[1,5-a]pyrimidin-3-yloxane-4-carboxamide?
The canonical SMILES for 4-ethoxy-N-pyrazolo[1,5-a]pyrimidin-3-yloxane-4-carboxamide is CCOC1(C(=O)Nc2cnn3cccnc23)CCOCC1.
What is the InChIKey of 4-ethoxy-N-pyrazolo[1,5-a]pyrimidin-3-yloxane-4-carboxamide?
The InChIKey is HDTSDCLRCASZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-2-21-14(4-8-20-9-5-14)13(19)17-11-10-16-18-7-3-6-15-12(11)18/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,17,19).
What are the key properties of 4-ethoxy-N-pyrazolo[1,5-a]pyrimidin-3-yloxane-4-carboxamide?
4-ethoxy-N-pyrazolo[1,5-a]pyrimidin-3-yloxane-4-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-pyrazolo[1,5-a]pyrimidin-3-yloxane-4-carboxamide is sourced from PubChem (CID 166315563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).