3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pentan-1-amine

C15H29N5 — CID 62125988

IUPAC3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCN(Cc2cnn(CC)c2)CC1
InChIInChI=1S/C15H29N5/c1-3-15(5-6-16)19-9-7-18(8-10-19)12-14-11-17-20(4-2)13-14/h11,13,15H,3-10,12,16H2,1-2H3
InChIKeyRUQZTYQFERZAHW-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.15
Rot. Bonds7

About 3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pentan-1-amine

3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pentan-1-amine (PubChem CID 62125988) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pentan-1-amine
PubChem CID62125988
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCN(Cc2cnn(CC)c2)CC1
InChIInChI=1S/C15H29N5/c1-3-15(5-6-16)19-9-7-18(8-10-19)12-14-11-17-20(4-2)13-14/h11,13,15H,3-10,12,16H2,1-2H3
InChIKeyRUQZTYQFERZAHW-UHFFFAOYSA-N
XLogP1.15
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-amine
CID 55041230
3-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 43253284
2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine
CID 62126920
2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanethioamide
CID 63336434
1-(2-chloroethyl)-4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepane
CID 63388085
1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol
CID 81114923
4-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-1-(2-methylpropyl)piperidine
CID 26317491
(1R)-1-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]pentan-1-ol
CID 95111652
2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpropanenitrile
CID 63340140
2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine
CID 62505904
N-[[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 62592588
[1-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780625

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pentan-1-amine?
The IUPAC name of 3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pentan-1-amine (CID 62125988) is 3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pentan-1-amine is CCC(CCN)N1CCN(Cc2cnn(CC)c2)CC1.
What is the InChIKey of 3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pentan-1-amine?
The InChIKey is RUQZTYQFERZAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-3-15(5-6-16)19-9-7-18(8-10-19)12-14-11-17-20(4-2)13-14/h11,13,15H,3-10,12,16H2,1-2H3.
What are the key properties of 3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pentan-1-amine?
3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pentan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 62125988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).