5-(azocan-1-yl)-1,3-dimethylpyrazol-4-amine

C12H22N4 — CID 43554002

IUPAC5-(azocan-1-yl)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(N2CCCCCCC2)c1N
InChIInChI=1S/C12H22N4/c1-10-11(13)12(15(2)14-10)16-8-6-4-3-5-7-9-16/h3-9,13H2,1-2H3
InChIKeyDHHRCEMBCJDEAB-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.08
Rot. Bonds1

About 5-(azocan-1-yl)-1,3-dimethylpyrazol-4-amine

5-(azocan-1-yl)-1,3-dimethylpyrazol-4-amine (PubChem CID 43554002) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 5-(azocan-1-yl)-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-(azocan-1-yl)-1,3-dimethylpyrazol-4-amine
PubChem CID43554002
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name5-(azocan-1-yl)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(N2CCCCCCC2)c1N
InChIInChI=1S/C12H22N4/c1-10-11(13)12(15(2)14-10)16-8-6-4-3-5-7-9-16/h3-9,13H2,1-2H3
InChIKeyDHHRCEMBCJDEAB-UHFFFAOYSA-N
XLogP2.08
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-5-piperidin-1-ylpyrazol-4-amine
CID 43553940
5-(1,1-dioxo-1,4-thiazepan-4-yl)-1,3-dimethylpyrazol-4-amine
CID 114083330
5-(azocan-1-yl)-3-methyl-1-propylpyrazol-4-amine
CID 66028751
1-ethyl-3-methyl-5-piperidin-1-ylpyrazol-4-amine
CID 66012579
2-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]ethanol
CID 43554317
5-(3-ethylpiperidin-1-yl)-1,3-dimethylpyrazol-4-amine
CID 43584190
5-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
CID 43554219
1,3-dimethyl-5-(3-methylpyrrolidin-1-yl)pyrazol-4-amine
CID 61225576
5-(azetidin-1-yl)-3-methyl-1-propylpyrazol-4-amine
CID 130546598
5-(1,3-dihydroisoindol-2-yl)-1,3-dimethylpyrazol-4-amine
CID 55049999
1,3-dimethyl-5-pyrrolidin-1-ylpyrazole-4-carbothioamide
CID 63757362
1-(1,3-dimethyl-4-nitropyrazol-5-yl)azepane
CID 47213588

Frequently Asked Questions

What is the IUPAC name of 5-(azocan-1-yl)-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-(azocan-1-yl)-1,3-dimethylpyrazol-4-amine (CID 43554002) is 5-(azocan-1-yl)-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-(azocan-1-yl)-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-(azocan-1-yl)-1,3-dimethylpyrazol-4-amine is Cc1nn(C)c(N2CCCCCCC2)c1N.
What is the InChIKey of 5-(azocan-1-yl)-1,3-dimethylpyrazol-4-amine?
The InChIKey is DHHRCEMBCJDEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10-11(13)12(15(2)14-10)16-8-6-4-3-5-7-9-16/h3-9,13H2,1-2H3.
What are the key properties of 5-(azocan-1-yl)-1,3-dimethylpyrazol-4-amine?
5-(azocan-1-yl)-1,3-dimethylpyrazol-4-amine has a molecular weight of 222.34 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azocan-1-yl)-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 43554002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).