1-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine

C14H26N4 — CID 120841095

IUPAC1-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(Cc2ccnn2C(C)C)C1
InChIInChI=1S/C14H26N4/c1-11(2)18-14(6-7-16-18)10-17-8-4-5-13(9-17)12(3)15/h6-7,11-13H,4-5,8-10,15H2,1-3H3
InChIKeyGNFQEDHBRXNKLR-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.02
Rot. Bonds4

About 1-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine

1-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine (PubChem CID 120841095) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
PubChem CID120841095
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
SMILESCC(N)C1CCCN(Cc2ccnn2C(C)C)C1
InChIInChI=1S/C14H26N4/c1-11(2)18-14(6-7-16-18)10-17-8-4-5-13(9-17)12(3)15/h6-7,11-13H,4-5,8-10,15H2,1-3H3
InChIKeyGNFQEDHBRXNKLR-UHFFFAOYSA-N
XLogP2.02
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837782
[1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methanamine
CID 120841938
1-[1-[(4-iodophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925517
2-[(2-propan-2-ylpyrazol-3-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine;hydrochloride
CID 120844094
1-[1-[[2-(2-methoxyphenyl)pyrazol-3-yl]methyl]pyrrolidin-3-yl]ethanamine
CID 120843343
1-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]ethanamine
CID 120841022
3-methyl-5-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 128983203
1-methyl-4-[(2-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepane-6-carboxamide
CID 127245456
1-[1-[(2-ethylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 113499860
(4aS,8aR)-6-[(2-propan-2-ylpyrazol-3-yl)methyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 110135677
1-[1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine
CID 64799039
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925596

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine (CID 120841095) is 1-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine is CC(N)C1CCCN(Cc2ccnn2C(C)C)C1.
What is the InChIKey of 1-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine?
The InChIKey is GNFQEDHBRXNKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-11(2)18-14(6-7-16-18)10-17-8-4-5-13(9-17)12(3)15/h6-7,11-13H,4-5,8-10,15H2,1-3H3.
What are the key properties of 1-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine?
1-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine has a molecular weight of 250.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 120841095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).