2,5-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C19H20N6 — CID 70788936

IUPAC2,5-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2ccccc2Cn2cccn2)n2nc(C)cc2n1
InChIInChI=1S/C19H20N6/c1-14-10-18(25-19(22-14)11-15(2)23-25)20-12-16-6-3-4-7-17(16)13-24-9-5-8-21-24/h3-11,20H,12-13H2,1-2H3
InChIKeyJSSMRRYKGBPFMD-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.20
Rot. Bonds5

About 2,5-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

2,5-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70788936) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70788936
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name2,5-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2ccccc2Cn2cccn2)n2nc(C)cc2n1
InChIInChI=1S/C19H20N6/c1-14-10-18(25-19(22-14)11-15(2)23-25)20-12-16-6-3-4-7-17(16)13-24-9-5-8-21-24/h3-11,20H,12-13H2,1-2H3
InChIKeyJSSMRRYKGBPFMD-UHFFFAOYSA-N
XLogP3.20
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 35417931
N'-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 18406994
5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
CID 72863266
3-tert-butyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488896
N-(2-ethylsulfanylethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70759489
2,5-dimethyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70772578
6-chloro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazin-2-amine
CID 51120771
2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol
CID 115598697
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55934058
5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 51277216
6-chloro-2-cyclopropyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrimidin-4-amine
CID 133432685
2-methyl-N-[2-[2-(pyrazol-1-ylmethyl)phenyl]ethyl]propan-2-amine
CID 115464297

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,5-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 70788936) is 2,5-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,5-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,5-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCc2ccccc2Cn2cccn2)n2nc(C)cc2n1.
What is the InChIKey of 2,5-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JSSMRRYKGBPFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c1-14-10-18(25-19(22-14)11-15(2)23-25)20-12-16-6-3-4-7-17(16)13-24-9-5-8-21-24/h3-11,20H,12-13H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
2,5-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 332.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70788936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).