N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-ethylpyrazol-4-amine

C12H19N3 — CID 93112105

IUPACN-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-ethylpyrazol-4-amine
SMILESCCn1cc(NC[C@@H]2CC=CCC2)cn1
InChIInChI=1S/C12H19N3/c1-2-15-10-12(9-14-15)13-8-11-6-4-3-5-7-11/h3-4,9-11,13H,2,5-8H2,1H3/t11-/m1/s1
InChIKeyMWXPQARPQFKTIO-LLVKDONJSA-N
MW205.31 g/mol
LogP2.67
Rot. Bonds4

About N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-ethylpyrazol-4-amine

N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-ethylpyrazol-4-amine (PubChem CID 93112105) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-ethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-ethylpyrazol-4-amine
PubChem CID93112105
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-ethylpyrazol-4-amine
SMILESCCn1cc(NC[C@@H]2CC=CCC2)cn1
InChIInChI=1S/C12H19N3/c1-2-15-10-12(9-14-15)13-8-11-6-4-3-5-7-11/h3-4,9-11,13H,2,5-8H2,1H3/t11-/m1/s1
InChIKeyMWXPQARPQFKTIO-LLVKDONJSA-N
XLogP2.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-ethylpyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-ethylpyrazol-4-amine?
The IUPAC name of N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-ethylpyrazol-4-amine (CID 93112105) is N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-ethylpyrazol-4-amine.
What is the SMILES notation for N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-ethylpyrazol-4-amine?
The canonical SMILES for N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-ethylpyrazol-4-amine is CCn1cc(NC[C@@H]2CC=CCC2)cn1.
What is the InChIKey of N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-ethylpyrazol-4-amine?
The InChIKey is MWXPQARPQFKTIO-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-15-10-12(9-14-15)13-8-11-6-4-3-5-7-11/h3-4,9-11,13H,2,5-8H2,1H3/t11-/m1/s1.
What are the key properties of N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-ethylpyrazol-4-amine?
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-ethylpyrazol-4-amine has a molecular weight of 205.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-cyclohex-3-en-1-yl]methyl]-1-ethylpyrazol-4-amine is sourced from PubChem (CID 93112105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).