1-[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine

C13H24N4 — CID 113499860

IUPAC1-[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine
SMILESCCn1nccc1CN1CCC(C(C)N)CC1
InChIInChI=1S/C13H24N4/c1-3-17-13(4-7-15-17)10-16-8-5-12(6-9-16)11(2)14/h4,7,11-12H,3,5-6,8-10,14H2,1-2H3
InChIKeyRXAUPBHIKBLDIR-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.46
Rot. Bonds4

About 1-[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine

1-[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine (PubChem CID 113499860) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine
PubChem CID113499860
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine
SMILESCCn1nccc1CN1CCC(C(C)N)CC1
InChIInChI=1S/C13H24N4/c1-3-17-13(4-7-15-17)10-16-8-5-12(6-9-16)11(2)14/h4,7,11-12H,3,5-6,8-10,14H2,1-2H3
InChIKeyRXAUPBHIKBLDIR-UHFFFAOYSA-N
XLogP1.46
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(2-ethylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 103882977
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]ethanamine
CID 102999214
1-ethyl-5-[(3-methylazetidin-1-yl)methyl]pyrazole
CID 130719022
2-[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 114557952
1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine
CID 120843343
1-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]ethanamine
CID 66118605
1-[(2-ethylpyrazol-3-yl)methyl]-4-methylpyrrolidin-3-amine
CID 103575226
5-(2,2-dicyclopropylethyl)-1-ethylpyrazole
CID 175896665
1-[(2-ethylpyrazol-3-yl)methyl]-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine
CID 75499504
(3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-methylpiperazine
CID 103885908
2-[1-[(2-propylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 114556350
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 63596526

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine (CID 113499860) is 1-[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine is CCn1nccc1CN1CCC(C(C)N)CC1.
What is the InChIKey of 1-[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is RXAUPBHIKBLDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-17-13(4-7-15-17)10-16-8-5-12(6-9-16)11(2)14/h4,7,11-12H,3,5-6,8-10,14H2,1-2H3.
What are the key properties of 1-[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine?
1-[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 113499860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).