1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]propan-2-amine

C15H27N3 — CID 82698912

IUPAC1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]propan-2-amine
SMILESCCc1nn(CC2CCC2)c(CC)c1CC(C)N
InChIInChI=1S/C15H27N3/c1-4-14-13(9-11(3)16)15(5-2)18(17-14)10-12-7-6-8-12/h11-12H,4-10,16H2,1-3H3
InChIKeyYZADOXCXMGOYSY-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.70
Rot. Bonds6

About 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]propan-2-amine

1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]propan-2-amine (PubChem CID 82698912) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]propan-2-amine
PubChem CID82698912
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]propan-2-amine
SMILESCCc1nn(CC2CCC2)c(CC)c1CC(C)N
InChIInChI=1S/C15H27N3/c1-4-14-13(9-11(3)16)15(5-2)18(17-14)10-12-7-6-8-12/h11-12H,4-10,16H2,1-3H3
InChIKeyYZADOXCXMGOYSY-UHFFFAOYSA-N
XLogP2.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(cyclohexylmethyl)-3,5-diethylpyrazol-4-yl]butan-2-amine
CID 82699804
1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82697256
1-[3,5-diethyl-1-(3-methylcyclohexyl)pyrazol-4-yl]propan-2-amine
CID 82700374
1-[1-(cyclopropylmethyl)-3,5-diethylpyrazol-4-yl]ethanol
CID 82697298
N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 82700479
N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine
CID 82697542
1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]propan-2-amine
CID 82698914
1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine
CID 82700096
1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine
CID 82700738
1-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)propan-2-amine
CID 82699939
1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)butan-2-amine
CID 82700380
3,5-diethyl-1-(oxan-4-ylmethyl)pyrazol-4-amine
CID 82702447

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]propan-2-amine (CID 82698912) is 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]propan-2-amine is CCc1nn(CC2CCC2)c(CC)c1CC(C)N.
What is the InChIKey of 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]propan-2-amine?
The InChIKey is YZADOXCXMGOYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-14-13(9-11(3)16)15(5-2)18(17-14)10-12-7-6-8-12/h11-12H,4-10,16H2,1-3H3.
What are the key properties of 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]propan-2-amine?
1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]propan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 82698912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).