1-[3,5-diethyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-N-methylethanamine

C16H27N5 — CID 82700203

IUPAC1-[3,5-diethyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-N-methylethanamine
SMILESCCc1nn(Cc2cnn(CC)c2)c(CC)c1C(C)NC
InChIInChI=1S/C16H27N5/c1-6-14-16(12(4)17-5)15(7-2)21(19-14)11-13-9-18-20(8-3)10-13/h9-10,12,17H,6-8,11H2,1-5H3
InChIKeyCSAXXPRBGPEUBK-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.55
Rot. Bonds7

About 1-[3,5-diethyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-N-methylethanamine

1-[3,5-diethyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-N-methylethanamine (PubChem CID 82700203) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3,5-diethyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-N-methylethanamine
PubChem CID82700203
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name1-[3,5-diethyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-N-methylethanamine
SMILESCCc1nn(Cc2cnn(CC)c2)c(CC)c1C(C)NC
InChIInChI=1S/C16H27N5/c1-6-14-16(12(4)17-5)15(7-2)21(19-14)11-13-9-18-20(8-3)10-13/h9-10,12,17H,6-8,11H2,1-5H3
InChIKeyCSAXXPRBGPEUBK-UHFFFAOYSA-N
XLogP2.55
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3,5-diethyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]ethanol
CID 82698387
N-ethyl-1-[1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
CID 62730637
1-[1-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
CID 62731738
1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82697256
1-[1-(2-butoxyethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82698129
1,4-diethylpyrazole;ethane
CID 143641951
4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole
CID 62730205
1-[(1-ethylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 62126352
4-(chloromethyl)-3,5-diethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazole
CID 82698887
1-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 19625638
1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 62125623
1-[3,5-diethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]-N-methylethanamine
CID 82697632

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[3,5-diethyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-N-methylethanamine (CID 82700203) is 1-[3,5-diethyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[3,5-diethyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[3,5-diethyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-N-methylethanamine is CCc1nn(Cc2cnn(CC)c2)c(CC)c1C(C)NC.
What is the InChIKey of 1-[3,5-diethyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-N-methylethanamine?
The InChIKey is CSAXXPRBGPEUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-6-14-16(12(4)17-5)15(7-2)21(19-14)11-13-9-18-20(8-3)10-13/h9-10,12,17H,6-8,11H2,1-5H3.
What are the key properties of 1-[3,5-diethyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-N-methylethanamine?
1-[3,5-diethyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-N-methylethanamine has a molecular weight of 289.43 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-diethyl-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 82700203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).