1-ethyl-N-(3-piperidin-3-ylbutyl)pyrazol-3-amine

C14H26N4 — CID 114252222

IUPAC1-ethyl-N-(3-piperidin-3-ylbutyl)pyrazol-3-amine
SMILESCCn1ccc(NCCC(C)C2CCCNC2)n1
InChIInChI=1S/C14H26N4/c1-3-18-10-7-14(17-18)16-9-6-12(2)13-5-4-8-15-11-13/h7,10,12-13,15H,3-6,8-9,11H2,1-2H3,(H,16,17)
InChIKeyIOQZMJYHNUZEID-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.34
Rot. Bonds6

About 1-ethyl-N-(3-piperidin-3-ylbutyl)pyrazol-3-amine

1-ethyl-N-(3-piperidin-3-ylbutyl)pyrazol-3-amine (PubChem CID 114252222) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-ethyl-N-(3-piperidin-3-ylbutyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-ethyl-N-(3-piperidin-3-ylbutyl)pyrazol-3-amine
PubChem CID114252222
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-ethyl-N-(3-piperidin-3-ylbutyl)pyrazol-3-amine
SMILESCCn1ccc(NCCC(C)C2CCCNC2)n1
InChIInChI=1S/C14H26N4/c1-3-18-10-7-14(17-18)16-9-6-12(2)13-5-4-8-15-11-13/h7,10,12-13,15H,3-6,8-9,11H2,1-2H3,(H,16,17)
InChIKeyIOQZMJYHNUZEID-UHFFFAOYSA-N
XLogP2.34
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-3-piperidin-3-ylbutan-1-amine
CID 81044779
3-methyl-N-(3-piperidin-3-ylbutyl)-2-propan-2-ylbutan-1-amine
CID 102913685
3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 81044233
3-pentan-2-ylazepane
CID 107889859
3-(5-piperidin-4-ylhexan-2-yl)piperidine
CID 129299226
1-methyl-N-(3-piperidin-3-ylpropyl)pyrazol-3-amine
CID 103568715
1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperidine
CID 103497377
N-benzyl-N-ethyl-3-piperidin-3-ylbutan-1-amine
CID 81043704
N-(oxolan-2-ylmethyl)-3-piperidin-3-ylbutan-1-amine
CID 81043624
3-(3-piperidin-3-ylbutyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 81048505
1-(1-ethylpyrazol-4-yl)-4-piperidin-3-ylpentan-2-one
CID 116594471
1-(3-piperidin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82749743

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-piperidin-3-ylbutyl)pyrazol-3-amine?
The IUPAC name of 1-ethyl-N-(3-piperidin-3-ylbutyl)pyrazol-3-amine (CID 114252222) is 1-ethyl-N-(3-piperidin-3-ylbutyl)pyrazol-3-amine.
What is the SMILES notation for 1-ethyl-N-(3-piperidin-3-ylbutyl)pyrazol-3-amine?
The canonical SMILES for 1-ethyl-N-(3-piperidin-3-ylbutyl)pyrazol-3-amine is CCn1ccc(NCCC(C)C2CCCNC2)n1.
What is the InChIKey of 1-ethyl-N-(3-piperidin-3-ylbutyl)pyrazol-3-amine?
The InChIKey is IOQZMJYHNUZEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-3-18-10-7-14(17-18)16-9-6-12(2)13-5-4-8-15-11-13/h7,10,12-13,15H,3-6,8-9,11H2,1-2H3,(H,16,17).
What are the key properties of 1-ethyl-N-(3-piperidin-3-ylbutyl)pyrazol-3-amine?
1-ethyl-N-(3-piperidin-3-ylbutyl)pyrazol-3-amine has a molecular weight of 250.39 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-piperidin-3-ylbutyl)pyrazol-3-amine is sourced from PubChem (CID 114252222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).