1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-ethylpiperidin-4-amine

C13H24N4 — CID 81457852

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-ethylpiperidin-4-amine
SMILESCCC1CN(Cc2cnn(C)c2C)CCC1N
InChIInChI=1S/C13H24N4/c1-4-11-8-17(6-5-13(11)14)9-12-7-15-16(3)10(12)2/h7,11,13H,4-6,8-9,14H2,1-3H3
InChIKeyGVGMREXICPWOLX-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.29
Rot. Bonds3

About 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-ethylpiperidin-4-amine

1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-ethylpiperidin-4-amine (PubChem CID 81457852) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-ethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-ethylpiperidin-4-amine
PubChem CID81457852
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-ethylpiperidin-4-amine
SMILESCCC1CN(Cc2cnn(C)c2C)CCC1N
InChIInChI=1S/C13H24N4/c1-4-11-8-17(6-5-13(11)14)9-12-7-15-16(3)10(12)2/h7,11,13H,4-6,8-9,14H2,1-3H3
InChIKeyGVGMREXICPWOLX-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(pyrimidin-2-ylmethyl)piperidin-4-amine
CID 81460638
1-[(2,3-difluorophenyl)methyl]-4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperidine
CID 45212930
N-[1-[(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129328085
3-ethyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine
CID 81450320
N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide
CID 99589276
3-ethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 81457034
1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-3-ethylpiperidin-4-amine
CID 81460276
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine
CID 81457163
(1R,5S)-3-[(1,5-dimethylpyrazol-4-yl)methyl]-6-propyl-3,6-diazabicyclo[3.2.2]nonane
CID 133128366
3-ethyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine
CID 81460655
1-[(5-bromoquinolin-8-yl)methyl]-3-ethylpiperidin-4-amine
CID 115959744
(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 95897717

Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-ethylpiperidin-4-amine?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-ethylpiperidin-4-amine (CID 81457852) is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-ethylpiperidin-4-amine.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-ethylpiperidin-4-amine?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-ethylpiperidin-4-amine is CCC1CN(Cc2cnn(C)c2C)CCC1N.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-ethylpiperidin-4-amine?
The InChIKey is GVGMREXICPWOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-11-8-17(6-5-13(11)14)9-12-7-15-16(3)10(12)2/h7,11,13H,4-6,8-9,14H2,1-3H3.
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-ethylpiperidin-4-amine?
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-ethylpiperidin-4-amine has a molecular weight of 236.36 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-ethylpiperidin-4-amine is sourced from PubChem (CID 81457852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).