5-ethoxy-1H-pyrazole;4H-pyrimidine-3-carboxylic acid

C10H14N4O3 — CID 70455792

IUPAC5-ethoxy-1H-pyrazole;4H-pyrimidine-3-carboxylic acid
SMILESCCOc1ccn[nH]1.O=C(O)N1C=NC=CC1
InChIInChI=1S/C5H6N2O2.C5H8N2O/c8-5(9)7-3-1-2-6-4-7;1-2-8-5-3-4-6-7-5/h1-2,4H,3H2,(H,8,9);3-4H,2H2,1H3,(H,6,7)
InChIKeyVHQIYRQEFQUJDY-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.33
Rot. Bonds2

About 5-ethoxy-1H-pyrazole;4H-pyrimidine-3-carboxylic acid

5-ethoxy-1H-pyrazole;4H-pyrimidine-3-carboxylic acid (PubChem CID 70455792) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 5-ethoxy-1H-pyrazole;4H-pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethoxy-1H-pyrazole;4H-pyrimidine-3-carboxylic acid
PubChem CID70455792
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name5-ethoxy-1H-pyrazole;4H-pyrimidine-3-carboxylic acid
SMILESCCOc1ccn[nH]1.O=C(O)N1C=NC=CC1
InChIInChI=1S/C5H6N2O2.C5H8N2O/c8-5(9)7-3-1-2-6-4-7;1-2-8-5-3-4-6-7-5/h1-2,4H,3H2,(H,8,9);3-4H,2H2,1H3,(H,6,7)
InChIKeyVHQIYRQEFQUJDY-UHFFFAOYSA-N
XLogP1.33
TPSA90.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1H-pyrazole;4H-pyrimidine-3-carboxylic acid?
The IUPAC name of 5-ethoxy-1H-pyrazole;4H-pyrimidine-3-carboxylic acid (CID 70455792) is 5-ethoxy-1H-pyrazole;4H-pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-ethoxy-1H-pyrazole;4H-pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-ethoxy-1H-pyrazole;4H-pyrimidine-3-carboxylic acid is CCOc1ccn[nH]1.O=C(O)N1C=NC=CC1.
What is the InChIKey of 5-ethoxy-1H-pyrazole;4H-pyrimidine-3-carboxylic acid?
The InChIKey is VHQIYRQEFQUJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2.C5H8N2O/c8-5(9)7-3-1-2-6-4-7;1-2-8-5-3-4-6-7-5/h1-2,4H,3H2,(H,8,9);3-4H,2H2,1H3,(H,6,7).
What are the key properties of 5-ethoxy-1H-pyrazole;4H-pyrimidine-3-carboxylic acid?
5-ethoxy-1H-pyrazole;4H-pyrimidine-3-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1H-pyrazole;4H-pyrimidine-3-carboxylic acid is sourced from PubChem (CID 70455792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).