3-(4-ethylazepan-1-yl)-1-methylpyrazol-4-amine

C12H22N4 — CID 103078568

IUPAC3-(4-ethylazepan-1-yl)-1-methylpyrazol-4-amine
SMILESCCC1CCCN(c2nn(C)cc2N)CC1
InChIInChI=1S/C12H22N4/c1-3-10-5-4-7-16(8-6-10)12-11(13)9-15(2)14-12/h9-10H,3-8,13H2,1-2H3
InChIKeyJYUMTBNUKLJMCS-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.02
Rot. Bonds2

About 3-(4-ethylazepan-1-yl)-1-methylpyrazol-4-amine

3-(4-ethylazepan-1-yl)-1-methylpyrazol-4-amine (PubChem CID 103078568) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 3-(4-ethylazepan-1-yl)-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-(4-ethylazepan-1-yl)-1-methylpyrazol-4-amine
PubChem CID103078568
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name3-(4-ethylazepan-1-yl)-1-methylpyrazol-4-amine
SMILESCCC1CCCN(c2nn(C)cc2N)CC1
InChIInChI=1S/C12H22N4/c1-3-10-5-4-7-16(8-6-10)12-11(13)9-15(2)14-12/h9-10H,3-8,13H2,1-2H3
InChIKeyJYUMTBNUKLJMCS-UHFFFAOYSA-N
XLogP2.02
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylazepan-1-yl)-1-methylpyrazol-4-amine?
The IUPAC name of 3-(4-ethylazepan-1-yl)-1-methylpyrazol-4-amine (CID 103078568) is 3-(4-ethylazepan-1-yl)-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-(4-ethylazepan-1-yl)-1-methylpyrazol-4-amine?
The canonical SMILES for 3-(4-ethylazepan-1-yl)-1-methylpyrazol-4-amine is CCC1CCCN(c2nn(C)cc2N)CC1.
What is the InChIKey of 3-(4-ethylazepan-1-yl)-1-methylpyrazol-4-amine?
The InChIKey is JYUMTBNUKLJMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-10-5-4-7-16(8-6-10)12-11(13)9-15(2)14-12/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 3-(4-ethylazepan-1-yl)-1-methylpyrazol-4-amine?
3-(4-ethylazepan-1-yl)-1-methylpyrazol-4-amine has a molecular weight of 222.34 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylazepan-1-yl)-1-methylpyrazol-4-amine is sourced from PubChem (CID 103078568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).