1-ethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pyrazol-4-amine

C13H24N4 — CID 43543266

IUPAC1-ethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pyrazol-4-amine
SMILESCCn1cc(NC(C)C2CCCN(C)C2)cn1
InChIInChI=1S/C13H24N4/c1-4-17-10-13(8-14-17)15-11(2)12-6-5-7-16(3)9-12/h8,10-12,15H,4-7,9H2,1-3H3
InChIKeyBUCOPUWUESZOBB-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.05
Rot. Bonds4

About 1-ethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pyrazol-4-amine

1-ethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pyrazol-4-amine (PubChem CID 43543266) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-ethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pyrazol-4-amine
PubChem CID43543266
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-ethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pyrazol-4-amine
SMILESCCn1cc(NC(C)C2CCCN(C)C2)cn1
InChIInChI=1S/C13H24N4/c1-4-17-10-13(8-14-17)15-11(2)12-6-5-7-16(3)9-12/h8,10-12,15H,4-7,9H2,1-3H3
InChIKeyBUCOPUWUESZOBB-UHFFFAOYSA-N
XLogP2.05
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]pyrazol-4-amine
CID 43534727
N-[1-(1-ethylpiperidin-4-yl)ethyl]-1-methylpyrazol-4-amine
CID 43534725
4-iodo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43308680
1-(2-methoxyethyl)-N-[1-(1-propylpiperidin-4-yl)ethyl]pyrazol-4-amine
CID 43728912
N-(1-cyclobutylpropan-2-yl)-1-propylpyrazol-4-amine
CID 115921376
2-[4-(1-cyclohexylethylamino)pyrazol-1-yl]acetamide
CID 43783565
3-ethoxy-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 54865598
N-[1-(1-methylpiperidin-3-yl)ethyl]-4-(1,3-oxazol-5-yl)aniline
CID 60942327
N-(1-cyclopropylpropan-2-yl)-1-propylpyrazol-4-amine
CID 115921375
3-bromo-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43307884
N-cycloheptyl-1-ethylpyrazol-4-amine
CID 43543541
N-[1-(1-methylpiperidin-3-yl)ethyl]-3-pyrazol-1-ylaniline
CID 43739906

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pyrazol-4-amine?
The IUPAC name of 1-ethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pyrazol-4-amine (CID 43543266) is 1-ethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pyrazol-4-amine is CCn1cc(NC(C)C2CCCN(C)C2)cn1.
What is the InChIKey of 1-ethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pyrazol-4-amine?
The InChIKey is BUCOPUWUESZOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-17-10-13(8-14-17)15-11(2)12-6-5-7-16(3)9-12/h8,10-12,15H,4-7,9H2,1-3H3.
What are the key properties of 1-ethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pyrazol-4-amine?
1-ethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pyrazol-4-amine has a molecular weight of 236.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 43543266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).