N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine

C18H33N3 — CID 82700479

IUPACN-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1nn(CC2CCCC2)c(CC)c1CNC(C)(C)C
InChIInChI=1S/C18H33N3/c1-6-16-15(12-19-18(3,4)5)17(7-2)21(20-16)13-14-10-8-9-11-14/h14,19H,6-13H2,1-5H3
InChIKeyKLUZSBWQEJALDK-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.09
Rot. Bonds6

About N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 82700479) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID82700479
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1nn(CC2CCCC2)c(CC)c1CNC(C)(C)C
InChIInChI=1S/C18H33N3/c1-6-16-15(12-19-18(3,4)5)17(7-2)21(20-16)13-14-10-8-9-11-14/h14,19H,6-13H2,1-5H3
InChIKeyKLUZSBWQEJALDK-UHFFFAOYSA-N
XLogP4.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine (CID 82700479) is N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine is CCc1nn(CC2CCCC2)c(CC)c1CNC(C)(C)C.
What is the InChIKey of N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is KLUZSBWQEJALDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-6-16-15(12-19-18(3,4)5)17(7-2)21(20-16)13-14-10-8-9-11-14/h14,19H,6-13H2,1-5H3.
What are the key properties of N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82700479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).