3-[5-(4-cyclopropyl-2-methylphenyl)-1-methylpyrazol-4-yl]-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine

C22H25N7 — CID 90654189

IUPAC3-[5-(4-cyclopropyl-2-methylphenyl)-1-methylpyrazol-4-yl]-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cc(C2CC2)ccc1-c1c(-c2nn(C)c3ncnc(N(C)C)c23)cnn1C
InChIInChI=1S/C22H25N7/c1-13-10-15(14-6-7-14)8-9-16(13)20-17(11-25-28(20)4)19-18-21(27(2)3)23-12-24-22(18)29(5)26-19/h8-12,14H,6-7H2,1-5H3
InChIKeyUUSMOIZWQWBRBT-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.68
Rot. Bonds4

About 3-[5-(4-cyclopropyl-2-methylphenyl)-1-methylpyrazol-4-yl]-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine

3-[5-(4-cyclopropyl-2-methylphenyl)-1-methylpyrazol-4-yl]-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 90654189) has the molecular formula C22H25N7 and a molecular weight of 387.49 g/mol. Its IUPAC name is 3-[5-(4-cyclopropyl-2-methylphenyl)-1-methylpyrazol-4-yl]-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-[5-(4-cyclopropyl-2-methylphenyl)-1-methylpyrazol-4-yl]-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID90654189
Molecular FormulaC22H25N7
Molecular Weight387.49 g/mol
Exact Mass387.22
IUPAC Name3-[5-(4-cyclopropyl-2-methylphenyl)-1-methylpyrazol-4-yl]-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cc(C2CC2)ccc1-c1c(-c2nn(C)c3ncnc(N(C)C)c23)cnn1C
InChIInChI=1S/C22H25N7/c1-13-10-15(14-6-7-14)8-9-16(13)20-17(11-25-28(20)4)19-18-21(27(2)3)23-12-24-22(18)29(5)26-19/h8-12,14H,6-7H2,1-5H3
InChIKeyUUSMOIZWQWBRBT-UHFFFAOYSA-N
XLogP3.68
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-cyclopropyl-2-methylphenyl)-1-methylpyrazol-4-yl]-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-[5-(4-cyclopropyl-2-methylphenyl)-1-methylpyrazol-4-yl]-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine (CID 90654189) is 3-[5-(4-cyclopropyl-2-methylphenyl)-1-methylpyrazol-4-yl]-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-[5-(4-cyclopropyl-2-methylphenyl)-1-methylpyrazol-4-yl]-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-[5-(4-cyclopropyl-2-methylphenyl)-1-methylpyrazol-4-yl]-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine is Cc1cc(C2CC2)ccc1-c1c(-c2nn(C)c3ncnc(N(C)C)c23)cnn1C.
What is the InChIKey of 3-[5-(4-cyclopropyl-2-methylphenyl)-1-methylpyrazol-4-yl]-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is UUSMOIZWQWBRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7/c1-13-10-15(14-6-7-14)8-9-16(13)20-17(11-25-28(20)4)19-18-21(27(2)3)23-12-24-22(18)29(5)26-19/h8-12,14H,6-7H2,1-5H3.
What are the key properties of 3-[5-(4-cyclopropyl-2-methylphenyl)-1-methylpyrazol-4-yl]-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine?
3-[5-(4-cyclopropyl-2-methylphenyl)-1-methylpyrazol-4-yl]-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 387.49 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-cyclopropyl-2-methylphenyl)-1-methylpyrazol-4-yl]-N,N,1-trimethylpyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 90654189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).