1-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine

C16H28N4 — CID 64801540

IUPAC1-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine
SMILESCCNC1CCN(Cc2ccn(C3CCCC3)n2)CC1
InChIInChI=1S/C16H28N4/c1-2-17-14-7-10-19(11-8-14)13-15-9-12-20(18-15)16-5-3-4-6-16/h9,12,14,16-17H,2-8,10-11,13H2,1H3
InChIKeyWWFVVFCBURXHLN-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.57
Rot. Bonds5

About 1-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine

1-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine (PubChem CID 64801540) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine
PubChem CID64801540
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine
SMILESCCNC1CCN(Cc2ccn(C3CCCC3)n2)CC1
InChIInChI=1S/C16H28N4/c1-2-17-14-7-10-19(11-8-14)13-15-9-12-20(18-15)16-5-3-4-6-16/h9,12,14,16-17H,2-8,10-11,13H2,1H3
InChIKeyWWFVVFCBURXHLN-UHFFFAOYSA-N
XLogP2.57
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 64783589
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol
CID 81002641
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 64776943
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine
CID 64801541
4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide
CID 75382047
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
1-[(1-cyclohexylpyrazol-3-yl)methyl]-N,3-dimethylpiperidin-4-amine
CID 114499152
1-(2-chloroethyl)-4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepane
CID 64778323
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanamine
CID 64801952
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol
CID 64777495
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid
CID 64785188
1-cyclohexyl-3-ethylpyrazole
CID 66014335

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine?
The IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine (CID 64801540) is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine.
What is the SMILES notation for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine?
The canonical SMILES for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine is CCNC1CCN(Cc2ccn(C3CCCC3)n2)CC1.
What is the InChIKey of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine?
The InChIKey is WWFVVFCBURXHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-2-17-14-7-10-19(11-8-14)13-15-9-12-20(18-15)16-5-3-4-6-16/h9,12,14,16-17H,2-8,10-11,13H2,1H3.
What are the key properties of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine?
1-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine has a molecular weight of 276.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine is sourced from PubChem (CID 64801540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).