1-[7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopentane-1-carbaldehyde

C18H18N4O — CID 87896341

IUPAC1-[7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopentane-1-carbaldehyde
SMILESNc1cccc(-c2ccnc3c(C4(C=O)CCCC4)cnn23)c1
InChIInChI=1S/C18H18N4O/c19-14-5-3-4-13(10-14)16-6-9-20-17-15(11-21-22(16)17)18(12-23)7-1-2-8-18/h3-6,9-12H,1-2,7-8,19H2
InChIKeyONQUMOYHZISKLR-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.99
Rot. Bonds3

About 1-[7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopentane-1-carbaldehyde

1-[7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopentane-1-carbaldehyde (PubChem CID 87896341) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-[7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopentane-1-carbaldehyde
PubChem CID87896341
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name1-[7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopentane-1-carbaldehyde
SMILESNc1cccc(-c2ccnc3c(C4(C=O)CCCC4)cnn23)c1
InChIInChI=1S/C18H18N4O/c19-14-5-3-4-13(10-14)16-6-9-20-17-15(11-21-22(16)17)18(12-23)7-1-2-8-18/h3-6,9-12H,1-2,7-8,19H2
InChIKeyONQUMOYHZISKLR-UHFFFAOYSA-N
XLogP2.99
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopentane-1-carbaldehyde?
The IUPAC name of 1-[7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopentane-1-carbaldehyde (CID 87896341) is 1-[7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-[7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-[7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopentane-1-carbaldehyde is Nc1cccc(-c2ccnc3c(C4(C=O)CCCC4)cnn23)c1.
What is the InChIKey of 1-[7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopentane-1-carbaldehyde?
The InChIKey is ONQUMOYHZISKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c19-14-5-3-4-13(10-14)16-6-9-20-17-15(11-21-22(16)17)18(12-23)7-1-2-8-18/h3-6,9-12H,1-2,7-8,19H2.
What are the key properties of 1-[7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopentane-1-carbaldehyde?
1-[7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopentane-1-carbaldehyde has a molecular weight of 306.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(3-aminophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 87896341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).