1-tert-butyl-3-[(2-ethylpiperidin-1-yl)methyl]pyrazol-5-amine

C15H28N4 — CID 82171750

IUPAC1-tert-butyl-3-[(2-ethylpiperidin-1-yl)methyl]pyrazol-5-amine
SMILESCCC1CCCCN1Cc1cc(N)n(C(C)(C)C)n1
InChIInChI=1S/C15H28N4/c1-5-13-8-6-7-9-18(13)11-12-10-14(16)19(17-12)15(2,3)4/h10,13H,5-9,11,16H2,1-4H3
InChIKeyKSHQBEXVKREGHB-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.98
Rot. Bonds3

About 1-tert-butyl-3-[(2-ethylpiperidin-1-yl)methyl]pyrazol-5-amine

1-tert-butyl-3-[(2-ethylpiperidin-1-yl)methyl]pyrazol-5-amine (PubChem CID 82171750) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-tert-butyl-3-[(2-ethylpiperidin-1-yl)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-tert-butyl-3-[(2-ethylpiperidin-1-yl)methyl]pyrazol-5-amine
PubChem CID82171750
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-tert-butyl-3-[(2-ethylpiperidin-1-yl)methyl]pyrazol-5-amine
SMILESCCC1CCCCN1Cc1cc(N)n(C(C)(C)C)n1
InChIInChI=1S/C15H28N4/c1-5-13-8-6-7-9-18(13)11-12-10-14(16)19(17-12)15(2,3)4/h10,13H,5-9,11,16H2,1-4H3
InChIKeyKSHQBEXVKREGHB-UHFFFAOYSA-N
XLogP2.98
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-ethylpiperidin-1-yl)methyl]-4-pyridinyl]hydrazine
CID 79260107
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-ethylpiperidine
CID 91336363
5-[(2-ethylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 79021704
4-[(2-ethylpiperidin-1-yl)methyl]-2-fluoroaniline
CID 63188722
4-[(2-ethylpiperidin-1-yl)methyl]-3-fluoroaniline
CID 64767866
2-chloro-5-[(2-ethylpiperidin-1-yl)methyl]aniline
CID 43266179
4-[(2-ethylazepan-1-yl)methyl]-2-fluoroaniline
CID 113441589
[5-[(2-ethylpiperidin-1-yl)methyl]-2-methylfuran-3-yl]methanamine
CID 62417803
[2-[(2-ethylazepan-1-yl)methyl]-5-fluorophenyl]methanamine
CID 104689110
4-[(2-ethylpyrrolidin-1-yl)methyl]aniline
CID 59299936
1,2-diethylpiperidine
CID 19604037
2-[(2-ethylpiperidin-1-yl)methyl]-1,3-benzoxazol-4-amine
CID 79995284

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(2-ethylpiperidin-1-yl)methyl]pyrazol-5-amine?
The IUPAC name of 1-tert-butyl-3-[(2-ethylpiperidin-1-yl)methyl]pyrazol-5-amine (CID 82171750) is 1-tert-butyl-3-[(2-ethylpiperidin-1-yl)methyl]pyrazol-5-amine.
What is the SMILES notation for 1-tert-butyl-3-[(2-ethylpiperidin-1-yl)methyl]pyrazol-5-amine?
The canonical SMILES for 1-tert-butyl-3-[(2-ethylpiperidin-1-yl)methyl]pyrazol-5-amine is CCC1CCCCN1Cc1cc(N)n(C(C)(C)C)n1.
What is the InChIKey of 1-tert-butyl-3-[(2-ethylpiperidin-1-yl)methyl]pyrazol-5-amine?
The InChIKey is KSHQBEXVKREGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-5-13-8-6-7-9-18(13)11-12-10-14(16)19(17-12)15(2,3)4/h10,13H,5-9,11,16H2,1-4H3.
What are the key properties of 1-tert-butyl-3-[(2-ethylpiperidin-1-yl)methyl]pyrazol-5-amine?
1-tert-butyl-3-[(2-ethylpiperidin-1-yl)methyl]pyrazol-5-amine has a molecular weight of 264.42 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(2-ethylpiperidin-1-yl)methyl]pyrazol-5-amine is sourced from PubChem (CID 82171750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).