N-(1-cyclohexylethenyl)-1,3-dimethylpyrazol-4-amine

C13H21N3 — CID 154947789

IUPACN-(1-cyclohexylethenyl)-1,3-dimethylpyrazol-4-amine
SMILESC=C(Nc1cn(C)nc1C)C1CCCCC1
InChIInChI=1S/C13H21N3/c1-10(12-7-5-4-6-8-12)14-13-9-16(3)15-11(13)2/h9,12,14H,1,4-8H2,2-3H3
InChIKeyIHTNWFGQWBZIMU-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.23
Rot. Bonds3

About N-(1-cyclohexylethenyl)-1,3-dimethylpyrazol-4-amine

N-(1-cyclohexylethenyl)-1,3-dimethylpyrazol-4-amine (PubChem CID 154947789) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(1-cyclohexylethenyl)-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethenyl)-1,3-dimethylpyrazol-4-amine
PubChem CID154947789
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-(1-cyclohexylethenyl)-1,3-dimethylpyrazol-4-amine
SMILESC=C(Nc1cn(C)nc1C)C1CCCCC1
InChIInChI=1S/C13H21N3/c1-10(12-7-5-4-6-8-12)14-13-9-16(3)15-11(13)2/h9,12,14H,1,4-8H2,2-3H3
InChIKeyIHTNWFGQWBZIMU-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethenyl)-1,3-dimethylpyrazol-4-amine?
The IUPAC name of N-(1-cyclohexylethenyl)-1,3-dimethylpyrazol-4-amine (CID 154947789) is N-(1-cyclohexylethenyl)-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for N-(1-cyclohexylethenyl)-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for N-(1-cyclohexylethenyl)-1,3-dimethylpyrazol-4-amine is C=C(Nc1cn(C)nc1C)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethenyl)-1,3-dimethylpyrazol-4-amine?
The InChIKey is IHTNWFGQWBZIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10(12-7-5-4-6-8-12)14-13-9-16(3)15-11(13)2/h9,12,14H,1,4-8H2,2-3H3.
What are the key properties of N-(1-cyclohexylethenyl)-1,3-dimethylpyrazol-4-amine?
N-(1-cyclohexylethenyl)-1,3-dimethylpyrazol-4-amine has a molecular weight of 219.33 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethenyl)-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 154947789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).