N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-9-methylpurin-2-amine

C17H17N7O — CID 157016460

IUPACN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-9-methylpurin-2-amine
SMILESCOc1cccc(-n2cc(CNc3ncc4ncn(C)c4n3)cn2)c1
InChIInChI=1S/C17H17N7O/c1-23-11-20-15-9-19-17(22-16(15)23)18-7-12-8-21-24(10-12)13-4-3-5-14(6-13)25-2/h3-6,8-11H,7H2,1-2H3,(H,18,19,22)
InChIKeyTWSJNKYCQLWMHE-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.17
Rot. Bonds5

About N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-9-methylpurin-2-amine

N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-9-methylpurin-2-amine (PubChem CID 157016460) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-9-methylpurin-2-amine.

Molecular Properties

Compound NameN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-9-methylpurin-2-amine
PubChem CID157016460
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC NameN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-9-methylpurin-2-amine
SMILESCOc1cccc(-n2cc(CNc3ncc4ncn(C)c4n3)cn2)c1
InChIInChI=1S/C17H17N7O/c1-23-11-20-15-9-19-17(22-16(15)23)18-7-12-8-21-24(10-12)13-4-3-5-14(6-13)25-2/h3-6,8-11H,7H2,1-2H3,(H,18,19,22)
InChIKeyTWSJNKYCQLWMHE-UHFFFAOYSA-N
XLogP2.17
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 176501771
N-[[1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-3-pyrazol-1-ylaniline
CID 146095566
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrrol-1-ylpropanamide
CID 131945038
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-9-methylpurin-2-amine
CID 157014952
(2S)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrazol-1-ylbutanamide
CID 97138809
4-(4-methoxyphenoxy)-1-(3-methoxyphenyl)pyrazole
CID 117229524
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 111251127
2-[1-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]triazol-4-yl]-1,3-thiazole
CID 72884116
4-[1-(3-methoxyphenyl)pyrazol-4-yl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 129071969
2-[1-(3-methoxyphenyl)pyrazol-4-yl]oxyethanamine
CID 117229758
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide
CID 131935325
2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]aniline
CID 43823571

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-9-methylpurin-2-amine?
The IUPAC name of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-9-methylpurin-2-amine (CID 157016460) is N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-9-methylpurin-2-amine.
What is the SMILES notation for N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-9-methylpurin-2-amine?
The canonical SMILES for N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-9-methylpurin-2-amine is COc1cccc(-n2cc(CNc3ncc4ncn(C)c4n3)cn2)c1.
What is the InChIKey of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-9-methylpurin-2-amine?
The InChIKey is TWSJNKYCQLWMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c1-23-11-20-15-9-19-17(22-16(15)23)18-7-12-8-21-24(10-12)13-4-3-5-14(6-13)25-2/h3-6,8-11H,7H2,1-2H3,(H,18,19,22).
What are the key properties of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-9-methylpurin-2-amine?
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-9-methylpurin-2-amine has a molecular weight of 335.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-9-methylpurin-2-amine is sourced from PubChem (CID 157016460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).