2-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]pyrazol-3-amine

C11H17N3 — CID 166652164

IUPAC2-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]pyrazol-3-amine
SMILESC=C/C=C(\n1nccc1N)C(C)(C)C
InChIInChI=1S/C11H17N3/c1-5-6-9(11(2,3)4)14-10(12)7-8-13-14/h5-8H,1,12H2,2-4H3/b9-6-
InChIKeyCEASSFZTZXQTRO-TWGQIWQCSA-N
MW191.28 g/mol
LogP2.54
Rot. Bonds2

About 2-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]pyrazol-3-amine

2-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]pyrazol-3-amine (PubChem CID 166652164) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]pyrazol-3-amine
PubChem CID166652164
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]pyrazol-3-amine
SMILESC=C/C=C(\n1nccc1N)C(C)(C)C
InChIInChI=1S/C11H17N3/c1-5-6-9(11(2,3)4)14-10(12)7-8-13-14/h5-8H,1,12H2,2-4H3/b9-6-
InChIKeyCEASSFZTZXQTRO-TWGQIWQCSA-N
XLogP2.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(tert-Butyl)-1H-pyrazol-5-amine
CID 39869098
1-tert-butyl-1H-pyrazol-5-amine hydrochloride
CID 126807560
1-(3,5-Difluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine
CID 70214179
1-(2-Fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine
CID 70216304
1-[(3E)-5-fluoro-2-methylpenta-1,3-dien-3-yl]pyrazol-3-amine
CID 134596494
1-(4-Ethyl-3-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine
CID 135232950
2-[(1Z,3E,5E)-1,3-dichloro-5-(difluoromethyl)hepta-1,3,5-trien-2-yl]pyrazol-3-amine
CID 141842891
1-[(3E,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazol-3-amine
CID 142887935
1-[(3E)-6-methyl-5-(trifluoromethyl)hepta-1,3,5-trien-3-yl]pyrazol-3-amine
CID 143518768
1-(3-Fluoro-4-propan-2-ylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine
CID 143818136
5-cyclopropylidene-7-(difluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine
CID 166968399
[(2Z)-1-(5-aminopyrazol-1-yl)-2,4-dimethylpenta-2,4-dienylidene]tungsten
CID 21337557

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]pyrazol-3-amine?
The IUPAC name of 2-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]pyrazol-3-amine (CID 166652164) is 2-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]pyrazol-3-amine.
What is the SMILES notation for 2-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]pyrazol-3-amine?
The canonical SMILES for 2-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]pyrazol-3-amine is C=C/C=C(\n1nccc1N)C(C)(C)C.
What is the InChIKey of 2-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]pyrazol-3-amine?
The InChIKey is CEASSFZTZXQTRO-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H17N3/c1-5-6-9(11(2,3)4)14-10(12)7-8-13-14/h5-8H,1,12H2,2-4H3/b9-6-.
What are the key properties of 2-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]pyrazol-3-amine?
2-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]pyrazol-3-amine has a molecular weight of 191.28 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 2-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]pyrazol-3-amine is sourced from PubChem (CID 166652164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).