1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine

C12H17N3 — CID 135232516

IUPAC1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine
SMILESCCC1C=CC(n2ccc(N)n2)=CC1C
InChIInChI=1S/C12H17N3/c1-3-10-4-5-11(8-9(10)2)15-7-6-12(13)14-15/h4-10H,3H2,1-2H3,(H2,13,14)
InChIKeyMEELDRXJQNKYAW-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.54
Rot. Bonds2

About 1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine

1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine (PubChem CID 135232516) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine
PubChem CID135232516
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine
SMILESCCC1C=CC(n2ccc(N)n2)=CC1C
InChIInChI=1S/C12H17N3/c1-3-10-4-5-11(8-9(10)2)15-7-6-12(13)14-15/h4-10H,3H2,1-2H3,(H2,13,14)
InChIKeyMEELDRXJQNKYAW-UHFFFAOYSA-N
XLogP2.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine?
The IUPAC name of 1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine (CID 135232516) is 1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine?
The canonical SMILES for 1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine is CCC1C=CC(n2ccc(N)n2)=CC1C.
What is the InChIKey of 1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine?
The InChIKey is MEELDRXJQNKYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-10-4-5-11(8-9(10)2)15-7-6-12(13)14-15/h4-10H,3H2,1-2H3,(H2,13,14).
What are the key properties of 1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine?
1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine has a molecular weight of 203.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3-methylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine is sourced from PubChem (CID 135232516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).