N-(cyclohex-3-en-1-ylmethyl)-1-methylpyrazol-3-amine

C11H17N3 — CID 60810119

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-methylpyrazol-3-amine
SMILESCn1ccc(NCC2CC=CCC2)n1
InChIInChI=1S/C11H17N3/c1-14-8-7-11(13-14)12-9-10-5-3-2-4-6-10/h2-3,7-8,10H,4-6,9H2,1H3,(H,12,13)
InChIKeyPLDNVLRILXXZCJ-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.19
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-1-methylpyrazol-3-amine

N-(cyclohex-3-en-1-ylmethyl)-1-methylpyrazol-3-amine (PubChem CID 60810119) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-methylpyrazol-3-amine
PubChem CID60810119
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-methylpyrazol-3-amine
SMILESCn1ccc(NCC2CC=CCC2)n1
InChIInChI=1S/C11H17N3/c1-14-8-7-11(13-14)12-9-10-5-3-2-4-6-10/h2-3,7-8,10H,4-6,9H2,1H3,(H,12,13)
InChIKeyPLDNVLRILXXZCJ-UHFFFAOYSA-N
XLogP2.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(cyclohex-3-en-1-ylmethyl)-1-methylpyrazol-3-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-methylpyrazol-3-amine (CID 60810119) is N-(cyclohex-3-en-1-ylmethyl)-1-methylpyrazol-3-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-methylpyrazol-3-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-methylpyrazol-3-amine is Cn1ccc(NCC2CC=CCC2)n1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-methylpyrazol-3-amine?
The InChIKey is PLDNVLRILXXZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-14-8-7-11(13-14)12-9-10-5-3-2-4-6-10/h2-3,7-8,10H,4-6,9H2,1H3,(H,12,13).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-methylpyrazol-3-amine?
N-(cyclohex-3-en-1-ylmethyl)-1-methylpyrazol-3-amine has a molecular weight of 191.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1-methylpyrazol-3-amine is sourced from PubChem (CID 60810119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).