ethane;3-methyl-1-phenylpyrazolo[4,5-d]pyrimidin-7-amine

C14H17N5 — CID 145011169

IUPACethane;3-methyl-1-phenylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCC.Cc1nn(-c2ccccc2)c2c(N)ncnc12
InChIInChI=1S/C12H11N5.C2H6/c1-8-10-11(12(13)15-7-14-10)17(16-8)9-5-3-2-4-6-9;1-2/h2-7H,1H3,(H2,13,14,15);1-2H3
InChIKeyDPBOFLQEGXHEFQ-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.73
Rot. Bonds1

About ethane;3-methyl-1-phenylpyrazolo[4,5-d]pyrimidin-7-amine

ethane;3-methyl-1-phenylpyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 145011169) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is ethane;3-methyl-1-phenylpyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Nameethane;3-methyl-1-phenylpyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID145011169
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC Nameethane;3-methyl-1-phenylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCC.Cc1nn(-c2ccccc2)c2c(N)ncnc12
InChIInChI=1S/C12H11N5.C2H6/c1-8-10-11(12(13)15-7-14-10)17(16-8)9-5-3-2-4-6-9;1-2/h2-7H,1H3,(H2,13,14,15);1-2H3
InChIKeyDPBOFLQEGXHEFQ-UHFFFAOYSA-N
XLogP2.73
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 157234763
3-methyl-1-phenylpyrazolo[4,5-b]pyridine
CID 76847108
3-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57350625
3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine
CID 14067721
4-amino-3-methyl-1-phenylpyrazole-5-carboxylic acid
CID 82393477
3,5-dimethyl-1-phenylpyrazolo[4,5-d][1,3]oxazole
CID 13409655
2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1,1,1-trifluoropropan-2-ol
CID 4287677
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidenehydrazine
CID 699347
3-N-(3-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 118516884
3-tert-butyl-1-phenylpyrazol-5-amine;ethane
CID 143140261
(3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane
CID 130535844
4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium
CID 176877441

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-phenylpyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of ethane;3-methyl-1-phenylpyrazolo[4,5-d]pyrimidin-7-amine (CID 145011169) is ethane;3-methyl-1-phenylpyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for ethane;3-methyl-1-phenylpyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for ethane;3-methyl-1-phenylpyrazolo[4,5-d]pyrimidin-7-amine is CC.Cc1nn(-c2ccccc2)c2c(N)ncnc12.
What is the InChIKey of ethane;3-methyl-1-phenylpyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is DPBOFLQEGXHEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5.C2H6/c1-8-10-11(12(13)15-7-14-10)17(16-8)9-5-3-2-4-6-9;1-2/h2-7H,1H3,(H2,13,14,15);1-2H3.
What are the key properties of ethane;3-methyl-1-phenylpyrazolo[4,5-d]pyrimidin-7-amine?
ethane;3-methyl-1-phenylpyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 255.33 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-phenylpyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 145011169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).