1-(4-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-6-amine

C16H16FN7 — CID 142790427

IUPAC1-(4-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-6-amine
SMILESCc1cc(N2NC(c3cnn(C)c3)=C3N=CN(N)C=C32)ccc1F
InChIInChI=1S/C16H16FN7/c1-10-5-12(3-4-13(10)17)24-14-8-23(18)9-19-16(14)15(21-24)11-6-20-22(2)7-11/h3-9,21H,18H2,1-2H3
InChIKeyHIMJXWWLCGPVQY-UHFFFAOYSA-N
MW325.35 g/mol
LogP1.62
Rot. Bonds2

About 1-(4-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-6-amine

1-(4-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-6-amine (PubChem CID 142790427) has the molecular formula C16H16FN7 and a molecular weight of 325.35 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-6-amine
PubChem CID142790427
Molecular FormulaC16H16FN7
Molecular Weight325.35 g/mol
Exact Mass325.15
IUPAC Name1-(4-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-6-amine
SMILESCc1cc(N2NC(c3cnn(C)c3)=C3N=CN(N)C=C32)ccc1F
InChIInChI=1S/C16H16FN7/c1-10-5-12(3-4-13(10)17)24-14-8-23(18)9-19-16(14)15(21-24)11-6-20-22(2)7-11/h3-9,21H,18H2,1-2H3
InChIKeyHIMJXWWLCGPVQY-UHFFFAOYSA-N
XLogP1.62
TPSA74.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(4-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[4,3-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

1-(2-Fluoro-benzyl)-1H-pyrazol-4-ylamine
CID 4362222
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylpyrazol-3-yl)aniline
CID 9816515
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-ethylpyrazol-3-yl)aniline
CID 10221066
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)aniline
CID 22493381
1-((4-Fluorophenyl)methyl)-1H-pyrazol-4-amine
CID 573282
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propylpyrazol-3-yl)aniline
CID 44271931
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-ethylpyrazol-4-yl)aniline
CID 22493316
1-((3-fluorophenyl)methyl)-1H-pyrazol-4-amine
CID 6483867
3-(1H-pyrazol-1-ylmethyl)aniline
CID 6485349
1-(4-fluorophenyl)-4-[3-(1H-pyrazol-4-yl)propyl]piperazine
CID 28077337
4-[[3-[1-(4-fluorophenyl)pyrazol-4-yl]-8H-imidazo[1,2-b]pyridazin-6-yl]methyl]cyclohexanamine
CID 86576769
8-[(2-Fluorophenyl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97493620

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-6-amine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-6-amine (CID 142790427) is 1-(4-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-6-amine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-6-amine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-6-amine is Cc1cc(N2NC(c3cnn(C)c3)=C3N=CN(N)C=C32)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-6-amine?
The InChIKey is HIMJXWWLCGPVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN7/c1-10-5-12(3-4-13(10)17)24-14-8-23(18)9-19-16(14)15(21-24)11-6-20-22(2)7-11/h3-9,21H,18H2,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-6-amine?
1-(4-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-6-amine has a molecular weight of 325.35 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)-2H-pyrazolo[4,3-d]pyrimidin-6-amine is sourced from PubChem (CID 142790427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).