N-(4-ethylcyclohexyl)-1-methylpyrazol-4-amine

C12H21N3 — CID 43535007

IUPACN-(4-ethylcyclohexyl)-1-methylpyrazol-4-amine
SMILESCCC1CCC(Nc2cnn(C)c2)CC1
InChIInChI=1S/C12H21N3/c1-3-10-4-6-11(7-5-10)14-12-8-13-15(2)9-12/h8-11,14H,3-7H2,1-2H3
InChIKeyBVVKHNHYWIQXGI-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.80
Rot. Bonds3

About N-(4-ethylcyclohexyl)-1-methylpyrazol-4-amine

N-(4-ethylcyclohexyl)-1-methylpyrazol-4-amine (PubChem CID 43535007) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-1-methylpyrazol-4-amine
PubChem CID43535007
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-(4-ethylcyclohexyl)-1-methylpyrazol-4-amine
SMILESCCC1CCC(Nc2cnn(C)c2)CC1
InChIInChI=1S/C12H21N3/c1-3-10-4-6-11(7-5-10)14-12-8-13-15(2)9-12/h8-11,14H,3-7H2,1-2H3
InChIKeyBVVKHNHYWIQXGI-UHFFFAOYSA-N
XLogP2.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-1-methylpyrazol-4-amine?
The IUPAC name of N-(4-ethylcyclohexyl)-1-methylpyrazol-4-amine (CID 43535007) is N-(4-ethylcyclohexyl)-1-methylpyrazol-4-amine.
What is the SMILES notation for N-(4-ethylcyclohexyl)-1-methylpyrazol-4-amine?
The canonical SMILES for N-(4-ethylcyclohexyl)-1-methylpyrazol-4-amine is CCC1CCC(Nc2cnn(C)c2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-1-methylpyrazol-4-amine?
The InChIKey is BVVKHNHYWIQXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-10-4-6-11(7-5-10)14-12-8-13-15(2)9-12/h8-11,14H,3-7H2,1-2H3.
What are the key properties of N-(4-ethylcyclohexyl)-1-methylpyrazol-4-amine?
N-(4-ethylcyclohexyl)-1-methylpyrazol-4-amine has a molecular weight of 207.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-1-methylpyrazol-4-amine is sourced from PubChem (CID 43535007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).