3,5-dimethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

C14H18N6 — CID 167974134

IUPAC3,5-dimethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(C)c2ccn(C)n2)n2ncc(C)c2n1
InChIInChI=1S/C14H18N6/c1-9-8-15-20-13(7-10(2)16-14(9)20)17-11(3)12-5-6-19(4)18-12/h5-8,11,17H,1-4H3
InChIKeyRNDYWEDMIBDLOD-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.25
Rot. Bonds3

About 3,5-dimethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

3,5-dimethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 167974134) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID167974134
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name3,5-dimethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC(C)c2ccn(C)n2)n2ncc(C)c2n1
InChIInChI=1S/C14H18N6/c1-9-8-15-20-13(7-10(2)16-14(9)20)17-11(3)12-5-6-19(4)18-12/h5-8,11,17H,1-4H3
InChIKeyRNDYWEDMIBDLOD-UHFFFAOYSA-N
XLogP2.25
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3,5-dimethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 167974134) is 3,5-dimethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3,5-dimethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3,5-dimethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC(C)c2ccn(C)n2)n2ncc(C)c2n1.
What is the InChIKey of 3,5-dimethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is RNDYWEDMIBDLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-9-8-15-20-13(7-10(2)16-14(9)20)17-11(3)12-5-6-19(4)18-12/h5-8,11,17H,1-4H3.
What are the key properties of 3,5-dimethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?
3,5-dimethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 270.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 167974134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).