1-[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]-N-methylethanamine

C15H25N5 — CID 64771590

IUPAC1-[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1c(C)nn(Cc2ccn(C(C)C)n2)c1C
InChIInChI=1S/C15H25N5/c1-10(2)19-8-7-14(18-19)9-20-13(5)15(11(3)16-6)12(4)17-20/h7-8,10-11,16H,9H2,1-6H3
InChIKeyGSXPMPGGSJOKRR-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.61
Rot. Bonds5

About 1-[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]-N-methylethanamine

1-[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]-N-methylethanamine (PubChem CID 64771590) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]-N-methylethanamine
PubChem CID64771590
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name1-[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1c(C)nn(Cc2ccn(C(C)C)n2)c1C
InChIInChI=1S/C15H25N5/c1-10(2)19-8-7-14(18-19)9-20-13(5)15(11(3)16-6)12(4)17-20/h7-8,10-11,16H,9H2,1-6H3
InChIKeyGSXPMPGGSJOKRR-UHFFFAOYSA-N
XLogP2.61
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]-N-methylethanamine (CID 64771590) is 1-[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]-N-methylethanamine is CNC(C)c1c(C)nn(Cc2ccn(C(C)C)n2)c1C.
What is the InChIKey of 1-[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]-N-methylethanamine?
The InChIKey is GSXPMPGGSJOKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-10(2)19-8-7-14(18-19)9-20-13(5)15(11(3)16-6)12(4)17-20/h7-8,10-11,16H,9H2,1-6H3.
What are the key properties of 1-[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]-N-methylethanamine?
1-[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]-N-methylethanamine has a molecular weight of 275.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 64771590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).