N-[(4-methyl-1H-pyrazol-5-yl)methyl]cyclohex-3-en-1-amine

C11H17N3 — CID 130948462

IUPACN-[(4-methyl-1H-pyrazol-5-yl)methyl]cyclohex-3-en-1-amine
SMILESCc1cn[nH]c1CNC1CC=CCC1
InChIInChI=1S/C11H17N3/c1-9-7-13-14-11(9)8-12-10-5-3-2-4-6-10/h2-3,7,10,12H,4-6,8H2,1H3,(H,13,14)
InChIKeyCWMWLLUYMKXQMV-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.92
Rot. Bonds3

About N-[(4-methyl-1H-pyrazol-5-yl)methyl]cyclohex-3-en-1-amine

N-[(4-methyl-1H-pyrazol-5-yl)methyl]cyclohex-3-en-1-amine (PubChem CID 130948462) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-[(4-methyl-1H-pyrazol-5-yl)methyl]cyclohex-3-en-1-amine.

Molecular Properties

Compound NameN-[(4-methyl-1H-pyrazol-5-yl)methyl]cyclohex-3-en-1-amine
PubChem CID130948462
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-[(4-methyl-1H-pyrazol-5-yl)methyl]cyclohex-3-en-1-amine
SMILESCc1cn[nH]c1CNC1CC=CCC1
InChIInChI=1S/C11H17N3/c1-9-7-13-14-11(9)8-12-10-5-3-2-4-6-10/h2-3,7,10,12H,4-6,8H2,1H3,(H,13,14)
InChIKeyCWMWLLUYMKXQMV-UHFFFAOYSA-N
XLogP1.92
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1H-pyrazol-5-yl)methyl]cyclohex-3-en-1-amine?
The IUPAC name of N-[(4-methyl-1H-pyrazol-5-yl)methyl]cyclohex-3-en-1-amine (CID 130948462) is N-[(4-methyl-1H-pyrazol-5-yl)methyl]cyclohex-3-en-1-amine.
What is the SMILES notation for N-[(4-methyl-1H-pyrazol-5-yl)methyl]cyclohex-3-en-1-amine?
The canonical SMILES for N-[(4-methyl-1H-pyrazol-5-yl)methyl]cyclohex-3-en-1-amine is Cc1cn[nH]c1CNC1CC=CCC1.
What is the InChIKey of N-[(4-methyl-1H-pyrazol-5-yl)methyl]cyclohex-3-en-1-amine?
The InChIKey is CWMWLLUYMKXQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-9-7-13-14-11(9)8-12-10-5-3-2-4-6-10/h2-3,7,10,12H,4-6,8H2,1H3,(H,13,14).
What are the key properties of N-[(4-methyl-1H-pyrazol-5-yl)methyl]cyclohex-3-en-1-amine?
N-[(4-methyl-1H-pyrazol-5-yl)methyl]cyclohex-3-en-1-amine has a molecular weight of 191.28 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1H-pyrazol-5-yl)methyl]cyclohex-3-en-1-amine is sourced from PubChem (CID 130948462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).