5-ethyl-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C16H22N6 — CID 56908030

IUPAC5-ethyl-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(N(C)Cc2c(C)nn(C)c2C)n2nccc2n1
InChIInChI=1S/C16H22N6/c1-6-13-9-16(22-15(18-13)7-8-17-22)20(4)10-14-11(2)19-21(5)12(14)3/h7-9H,6,10H2,1-5H3
InChIKeyNCFPODUNPQYDSJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.28
Rot. Bonds4

About 5-ethyl-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-ethyl-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56908030) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-ethyl-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56908030
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name5-ethyl-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(N(C)Cc2c(C)nn(C)c2C)n2nccc2n1
InChIInChI=1S/C16H22N6/c1-6-13-9-16(22-15(18-13)7-8-17-22)20(4)10-14-11(2)19-21(5)12(14)3/h7-9H,6,10H2,1-5H3
InChIKeyNCFPODUNPQYDSJ-UHFFFAOYSA-N
XLogP2.28
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 56908030) is 5-ethyl-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is CCc1cc(N(C)Cc2c(C)nn(C)c2C)n2nccc2n1.
What is the InChIKey of 5-ethyl-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NCFPODUNPQYDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-6-13-9-16(22-15(18-13)7-8-17-22)20(4)10-14-11(2)19-21(5)12(14)3/h7-9H,6,10H2,1-5H3.
What are the key properties of 5-ethyl-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 298.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56908030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).