1-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]pyrazol-4-amine

C13H24N4 — CID 114592227

IUPAC1-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]pyrazol-4-amine
SMILESCC1CC(C)C(C)N(CCn2cc(N)cn2)C1
InChIInChI=1S/C13H24N4/c1-10-6-11(2)12(3)16(8-10)4-5-17-9-13(14)7-15-17/h7,9-12H,4-6,8,14H2,1-3H3
InChIKeyMKIGSEMNQCZWER-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.83
Rot. Bonds3

About 1-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]pyrazol-4-amine

1-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]pyrazol-4-amine (PubChem CID 114592227) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]pyrazol-4-amine
PubChem CID114592227
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]pyrazol-4-amine
SMILESCC1CC(C)C(C)N(CCn2cc(N)cn2)C1
InChIInChI=1S/C13H24N4/c1-10-6-11(2)12(3)16(8-10)4-5-17-9-13(14)7-15-17/h7,9-12H,4-6,8,14H2,1-3H3
InChIKeyMKIGSEMNQCZWER-UHFFFAOYSA-N
XLogP1.83
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(diethylamino)ethyl]-1H-pyrazol-4-amine
CID 42281880
1-(1-methyl-1H-pyrazol-4-yl)piperidin-3-amine
CID 54593547
1-(1-methyl-1H-pyrazol-4-yl)piperazine
CID 56828582
1-(1-cyclopropylethyl)-1H-pyrazol-4-amine
CID 61272898
N-methyl-1-(1-methyl-1H-pyrazol-4-yl)piperidin-3-amine
CID 64270757
1-(cyclobutylmethyl)-1H-pyrazol-4-amine
CID 64985324
1-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazol-4-amine
CID 67113476
1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-amine hydrochloride
CID 89717616
1-tert-butyl-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]piperidin-4-amine
CID 75447215
N,1-dimethyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-amine
CID 84587086
1-(2-(piperidin-1-yl)ethyl)-1H-pyrazol-4-amine hydrochloride
CID 71758026
N,N-dimethyl-1-(piperidin-4-yl)-1H-pyrazol-4-amine dihydrochloride
CID 119056909

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]pyrazol-4-amine (CID 114592227) is 1-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]pyrazol-4-amine is CC1CC(C)C(C)N(CCn2cc(N)cn2)C1.
What is the InChIKey of 1-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]pyrazol-4-amine?
The InChIKey is MKIGSEMNQCZWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10-6-11(2)12(3)16(8-10)4-5-17-9-13(14)7-15-17/h7,9-12H,4-6,8,14H2,1-3H3.
What are the key properties of 1-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]pyrazol-4-amine?
1-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]pyrazol-4-amine has a molecular weight of 236.36 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3,5-trimethylpiperidin-1-yl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 114592227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).