N-cyclohexyl-N-ethyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine

C20H25N5 — CID 7205566

IUPACN-cyclohexyl-N-ethyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCN(c1ncnc2c1cnn2-c1ccc(C)cc1)C1CCCCC1
InChIInChI=1S/C20H25N5/c1-3-24(16-7-5-4-6-8-16)19-18-13-23-25(20(18)22-14-21-19)17-11-9-15(2)10-12-17/h9-14,16H,3-8H2,1-2H3
InChIKeyUCVQCUROELEYHI-UHFFFAOYSA-N
MW335.46 g/mol
LogP4.28
Rot. Bonds4

About N-cyclohexyl-N-ethyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine

N-cyclohexyl-N-ethyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 7205566) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID7205566
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC NameN-cyclohexyl-N-ethyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCCN(c1ncnc2c1cnn2-c1ccc(C)cc1)C1CCCCC1
InChIInChI=1S/C20H25N5/c1-3-24(16-7-5-4-6-8-16)19-18-13-23-25(20(18)22-14-21-19)17-11-9-15(2)10-12-17/h9-14,16H,3-8H2,1-2H3
InChIKeyUCVQCUROELEYHI-UHFFFAOYSA-N
XLogP4.28
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-N-ethyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine (CID 7205566) is N-cyclohexyl-N-ethyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-N-ethyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-N-ethyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine is CCN(c1ncnc2c1cnn2-c1ccc(C)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is UCVQCUROELEYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-3-24(16-7-5-4-6-8-16)19-18-13-23-25(20(18)22-14-21-19)17-11-9-15(2)10-12-17/h9-14,16H,3-8H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine?
N-cyclohexyl-N-ethyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 335.46 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 7205566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).