7-(4-aminophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

C13H15N5O — CID 136709758

IUPAC7-(4-aminophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESNC(=O)c1cc2n(n1)C(c1ccc(N)cc1)CCN2
InChIInChI=1S/C13H15N5O/c14-9-3-1-8(2-4-9)11-5-6-16-12-7-10(13(15)19)17-18(11)12/h1-4,7,11,16H,5-6,14H2,(H2,15,19)
InChIKeyAIYWCYBWGMLAPC-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.97
Rot. Bonds2

About 7-(4-aminophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

7-(4-aminophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 136709758) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 7-(4-aminophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(4-aminophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID136709758
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name7-(4-aminophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESNC(=O)c1cc2n(n1)C(c1ccc(N)cc1)CCN2
InChIInChI=1S/C13H15N5O/c14-9-3-1-8(2-4-9)11-5-6-16-12-7-10(13(15)19)17-18(11)12/h1-4,7,11,16H,5-6,14H2,(H2,15,19)
InChIKeyAIYWCYBWGMLAPC-UHFFFAOYSA-N
XLogP0.97
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(4-aminophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-(4-aminophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 136709758) is 7-(4-aminophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(4-aminophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(4-aminophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is NC(=O)c1cc2n(n1)C(c1ccc(N)cc1)CCN2.
What is the InChIKey of 7-(4-aminophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is AIYWCYBWGMLAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c14-9-3-1-8(2-4-9)11-5-6-16-12-7-10(13(15)19)17-18(11)12/h1-4,7,11,16H,5-6,14H2,(H2,15,19).
What are the key properties of 7-(4-aminophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
7-(4-aminophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 257.30 g/mol, XLogP of 0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-aminophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 136709758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).