1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

C7H9N3O2 — CID 141444855

IUPAC1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESNC(=O)c1n[nH]c2c1CCOC2
InChIInChI=1S/C7H9N3O2/c8-7(11)6-4-1-2-12-3-5(4)9-10-6/h1-3H2,(H2,8,11)(H,9,10)
InChIKeyRFYUCUZHXFLDHA-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.42
Rot. Bonds1

About 1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide

1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 141444855) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID141444855
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
SMILESNC(=O)c1n[nH]c2c1CCOC2
InChIInChI=1S/C7H9N3O2/c8-7(11)6-4-1-2-12-3-5(4)9-10-6/h1-3H2,(H2,8,11)(H,9,10)
InChIKeyRFYUCUZHXFLDHA-UHFFFAOYSA-N
XLogP-0.42
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of 1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide (CID 141444855) is 1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for 1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for 1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is NC(=O)c1n[nH]c2c1CCOC2.
What is the InChIKey of 1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is RFYUCUZHXFLDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c8-7(11)6-4-1-2-12-3-5(4)9-10-6/h1-3H2,(H2,8,11)(H,9,10).
What are the key properties of 1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide?
1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 167.17 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 141444855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).