6-amino-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde

C19H18N4O2 — CID 144735900

IUPAC6-amino-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESNC1CNc2c(C=O)c(-c3ccc(Oc4ccccc4)cc3)nn2C1
InChIInChI=1S/C19H18N4O2/c20-14-10-21-19-17(12-24)18(22-23(19)11-14)13-6-8-16(9-7-13)25-15-4-2-1-3-5-15/h1-9,12,14,21H,10-11,20H2
InChIKeyBKKWEJICAOWSHT-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.91
Rot. Bonds4

About 6-amino-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde

6-amino-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde (PubChem CID 144735900) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-amino-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name6-amino-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde
PubChem CID144735900
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name6-amino-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESNC1CNc2c(C=O)c(-c3ccc(Oc4ccccc4)cc3)nn2C1
InChIInChI=1S/C19H18N4O2/c20-14-10-21-19-17(12-24)18(22-23(19)11-14)13-6-8-16(9-7-13)25-15-4-2-1-3-5-15/h1-9,12,14,21H,10-11,20H2
InChIKeyBKKWEJICAOWSHT-UHFFFAOYSA-N
XLogP2.91
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-amino-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

6-amino-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde;methanamine
CID 144735899
6-amino-2-(4-phenoxycyclohexa-1,3-dien-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 163946949
2-(4-phenoxyphenyl)-7-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 144736070
6-[(1,3-dioxoisoindol-2-yl)methyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136928080
N-[[3-formyl-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl]methyl]prop-2-enamide;methanamine
CID 144736205
(2S,6R)-11-(4-phenoxyphenyl)-1,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene-10-carboxamide
CID 136970117
8-formyl-2-(4-phenoxyphenyl)-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
CID 167151491
(9S)-4-(4-phenoxyphenyl)-11-prop-2-enoyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-5-carboxamide
CID 144735873
5-(methylamino)-1-[2-methyl-4-(methylamino)butan-2-yl]-3-(4-phenoxyphenyl)pyrazole-4-carbaldehyde
CID 144735935
4-amino-1-(3-aminocyclohexyl)-3-(4-phenoxyphenyl)-6H-pyrazolo[4,5-d]pyridazin-7-one;hydrochloride
CID 162311103
3-chloro-1-piperidin-1-ylpropan-1-one;2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 170576170
4,5,10,11,16,17-hexakis(4-phenoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 86035796

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 6-amino-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde (CID 144735900) is 6-amino-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 6-amino-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 6-amino-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde is NC1CNc2c(C=O)c(-c3ccc(Oc4ccccc4)cc3)nn2C1.
What is the InChIKey of 6-amino-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The InChIKey is BKKWEJICAOWSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-14-10-21-19-17(12-24)18(22-23(19)11-14)13-6-8-16(9-7-13)25-15-4-2-1-3-5-15/h1-9,12,14,21H,10-11,20H2.
What are the key properties of 6-amino-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
6-amino-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde has a molecular weight of 334.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 144735900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).