7-(cyclopropylamino)-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde;N-cyclopropyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

C23H28N8O — CID 158586820

IUPAC7-(cyclopropylamino)-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde;N-cyclopropyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CC2)n2nc(C)c(C=O)c2n1.Cc1cc(NC2CC2)n2nc(C)cc2n1
InChIInChI=1S/C12H14N4O.C11H14N4/c1-7-5-11(14-9-3-4-9)16-12(13-7)10(6-17)8(2)15-16;1-7-5-11(13-9-3-4-9)15-10(12-7)6-8(2)14-15/h5-6,9,14H,3-4H2,1-2H3;5-6,9,13H,3-4H2,1-2H3
InChIKeyHTXVTCHAZVXWFU-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.65
Rot. Bonds5

About 7-(cyclopropylamino)-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde;N-cyclopropyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine

7-(cyclopropylamino)-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde;N-cyclopropyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158586820) has the molecular formula C23H28N8O and a molecular weight of 432.53 g/mol. Its IUPAC name is 7-(cyclopropylamino)-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde;N-cyclopropyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name7-(cyclopropylamino)-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde;N-cyclopropyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID158586820
Molecular FormulaC23H28N8O
Molecular Weight432.53 g/mol
Exact Mass432.24
IUPAC Name7-(cyclopropylamino)-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde;N-cyclopropyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CC2)n2nc(C)c(C=O)c2n1.Cc1cc(NC2CC2)n2nc(C)cc2n1
InChIInChI=1S/C12H14N4O.C11H14N4/c1-7-5-11(14-9-3-4-9)16-12(13-7)10(6-17)8(2)15-16;1-7-5-11(13-9-3-4-9)15-10(12-7)6-8(2)14-15/h5-6,9,14H,3-4H2,1-2H3;5-6,9,13H,3-4H2,1-2H3
InChIKeyHTXVTCHAZVXWFU-UHFFFAOYSA-N
XLogP3.65
TPSA101.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 7-(cyclopropylamino)-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde;N-cyclopropyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

5-chloro-7-(cyclopropylamino)-2-methylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 58314740
N-cyclopropyl-3,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126491418
(4R)-4-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one
CID 95867454
N-cyclopropyl-5-methyl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 138391891
2,3,5-trimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 70777576
7-cyclopropyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 146491583
N-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56889920
N-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95862662
N-cyclopentyl-3,5-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 46299374
N-cyclobutyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53259071
cyclopentyl-[4-[(2-methyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone
CID 56896555
7-(cyclopropylamino)-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 58313837

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylamino)-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde;N-cyclopropyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 7-(cyclopropylamino)-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde;N-cyclopropyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 158586820) is 7-(cyclopropylamino)-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde;N-cyclopropyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 7-(cyclopropylamino)-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde;N-cyclopropyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 7-(cyclopropylamino)-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde;N-cyclopropyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC2CC2)n2nc(C)c(C=O)c2n1.Cc1cc(NC2CC2)n2nc(C)cc2n1.
What is the InChIKey of 7-(cyclopropylamino)-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde;N-cyclopropyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HTXVTCHAZVXWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O.C11H14N4/c1-7-5-11(14-9-3-4-9)16-12(13-7)10(6-17)8(2)15-16;1-7-5-11(13-9-3-4-9)15-10(12-7)6-8(2)14-15/h5-6,9,14H,3-4H2,1-2H3;5-6,9,13H,3-4H2,1-2H3.
What are the key properties of 7-(cyclopropylamino)-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde;N-cyclopropyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine?
7-(cyclopropylamino)-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde;N-cyclopropyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 432.53 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylamino)-2,5-dimethylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde;N-cyclopropyl-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158586820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).