1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

C11H13N7 — CID 103853822

IUPAC1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2c1cnn2C)c1cn[nH]c1
InChIInChI=1S/C11H13N7/c1-7(8-3-14-15-4-8)17-10-9-5-16-18(2)11(9)13-6-12-10/h3-7H,1-2H3,(H,14,15)(H,12,13,17)
InChIKeyDBSYVYVQWZRKTG-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.26
Rot. Bonds3

About 1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 103853822) has the molecular formula C11H13N7 and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID103853822
Molecular FormulaC11H13N7
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(Nc1ncnc2c1cnn2C)c1cn[nH]c1
InChIInChI=1S/C11H13N7/c1-7(8-3-14-15-4-8)17-10-9-5-16-18(2)11(9)13-6-12-10/h3-7H,1-2H3,(H,14,15)(H,12,13,17)
InChIKeyDBSYVYVQWZRKTG-UHFFFAOYSA-N
XLogP1.26
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 43088482
1-methyl-N-[1-(2-methylphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 42889435
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 26017877
2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730898
1-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 115637656
(2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid
CID 93056813
4-N-[1-(1H-pyrazol-4-yl)ethyl]quinazoline-4,7-diamine
CID 106217108
1-N,1-N-dimethyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 82939474
N-hexan-3-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 62046967
1-methyl-N-[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95278624
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 115681142
4-methyl-2-[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]-1,3-oxazole-5-carboxylic acid
CID 167858485

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 103853822) is 1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is CC(Nc1ncnc2c1cnn2C)c1cn[nH]c1.
What is the InChIKey of 1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DBSYVYVQWZRKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7/c1-7(8-3-14-15-4-8)17-10-9-5-16-18(2)11(9)13-6-12-10/h3-7H,1-2H3,(H,14,15)(H,12,13,17).
What are the key properties of 1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 243.27 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 103853822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).