4-(3-methylcyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidine

C18H20N4 — CID 2939790

IUPAC4-(3-methylcyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidine
SMILESCC1CCCC(c2ncnc3c2cnn3-c2ccccc2)C1
InChIInChI=1S/C18H20N4/c1-13-6-5-7-14(10-13)17-16-11-21-22(18(16)20-12-19-17)15-8-3-2-4-9-15/h2-4,8-9,11-14H,5-7,10H2,1H3
InChIKeyZBORZNYENWPEKI-UHFFFAOYSA-N
MW292.39 g/mol
LogP4.11
Rot. Bonds2

About 4-(3-methylcyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidine

4-(3-methylcyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidine (PubChem CID 2939790) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 4-(3-methylcyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-(3-methylcyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidine
PubChem CID2939790
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name4-(3-methylcyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidine
SMILESCC1CCCC(c2ncnc3c2cnn3-c2ccccc2)C1
InChIInChI=1S/C18H20N4/c1-13-6-5-7-14(10-13)17-16-11-21-22(18(16)20-12-19-17)15-8-3-2-4-9-15/h2-4,8-9,11-14H,5-7,10H2,1H3
InChIKeyZBORZNYENWPEKI-UHFFFAOYSA-N
XLogP4.11
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylpiperidin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 3756032
4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 915603
1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 82192144
N-(3-methoxycyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133399449
1-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 133343935
N'-cyclopentyl-N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 133285646
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 127441908
1-phenyl-4-[(3S)-3-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 164635273
(2R)-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122051882
N-cyclopropyl-1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 127616498
1-phenyl-4-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 94664592
1-phenyl-4-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 97211756

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-(3-methylcyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidine (CID 2939790) is 4-(3-methylcyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-(3-methylcyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-(3-methylcyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidine is CC1CCCC(c2ncnc3c2cnn3-c2ccccc2)C1.
What is the InChIKey of 4-(3-methylcyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidine?
The InChIKey is ZBORZNYENWPEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-13-6-5-7-14(10-13)17-16-11-21-22(18(16)20-12-19-17)15-8-3-2-4-9-15/h2-4,8-9,11-14H,5-7,10H2,1H3.
What are the key properties of 4-(3-methylcyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidine?
4-(3-methylcyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidine has a molecular weight of 292.39 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylcyclohexyl)-1-phenylpyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 2939790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).