4-(4-methyl-2-pyrazol-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine

C15H13N7 — CID 50976695

IUPAC4-(4-methyl-2-pyrazol-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCc1ccc(-c2nc(N)nc3[nH]ncc23)c(-n2cccn2)c1
InChIInChI=1S/C15H13N7/c1-9-3-4-10(12(7-9)22-6-2-5-18-22)13-11-8-17-21-14(11)20-15(16)19-13/h2-8H,1H3,(H3,16,17,19,20,21)
InChIKeyWZNBXTMFAOBSHM-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.10
Rot. Bonds2

About 4-(4-methyl-2-pyrazol-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine

4-(4-methyl-2-pyrazol-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 50976695) has the molecular formula C15H13N7 and a molecular weight of 291.32 g/mol. Its IUPAC name is 4-(4-methyl-2-pyrazol-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-(4-methyl-2-pyrazol-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID50976695
Molecular FormulaC15H13N7
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC Name4-(4-methyl-2-pyrazol-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESCc1ccc(-c2nc(N)nc3[nH]ncc23)c(-n2cccn2)c1
InChIInChI=1S/C15H13N7/c1-9-3-4-10(12(7-9)22-6-2-5-18-22)13-11-8-17-21-14(11)20-15(16)19-13/h2-8H,1H3,(H3,16,17,19,20,21)
InChIKeyWZNBXTMFAOBSHM-UHFFFAOYSA-N
XLogP2.10
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(4-methyl-2-pyrazol-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine 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

5-(4-methyl-2-pyrazol-1-ylphenyl)pyrazin-2-amine
CID 72868725
4-(2-methoxy-3,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 103434577
4-(2-chloro-4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 56706662
1-(2-bromo-5-methylphenyl)pyrazole
CID 130121317
1-[6-(4-methyl-2-pyrazol-1-ylphenyl)-2-pyridinyl]ethanol
CID 72890659
4-(2-propoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 104663115
1-(2,4-dimethylphenyl)pyrazole
CID 13066329
6-(4-methyl-2-pyrazol-1-ylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 121496518
4-N-[(3-methylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 39782188
4-N-[(2,5-dimethylphenyl)methyl]-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 39830512
5-cyano-2-methyl-6-(4-methyl-2-pyrazol-1-ylphenyl)pyridine-3-carboxylic acid
CID 122564846
4-methyl-2-pyrazol-1-ylbenzamide
CID 63810394

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-pyrazol-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 4-(4-methyl-2-pyrazol-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine (CID 50976695) is 4-(4-methyl-2-pyrazol-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-(4-methyl-2-pyrazol-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-(4-methyl-2-pyrazol-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine is Cc1ccc(-c2nc(N)nc3[nH]ncc23)c(-n2cccn2)c1.
What is the InChIKey of 4-(4-methyl-2-pyrazol-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is WZNBXTMFAOBSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7/c1-9-3-4-10(12(7-9)22-6-2-5-18-22)13-11-8-17-21-14(11)20-15(16)19-13/h2-8H,1H3,(H3,16,17,19,20,21).
What are the key properties of 4-(4-methyl-2-pyrazol-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine?
4-(4-methyl-2-pyrazol-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 291.32 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-pyrazol-1-ylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 50976695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).