1-(3-fluoro-4-propan-2-ylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine

C12H16FN3 — CID 143818136

IUPAC1-(3-fluoro-4-propan-2-ylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine
SMILESCC(C)C1C=CC(n2ccc(N)n2)=CC1F
InChIInChI=1S/C12H16FN3/c1-8(2)10-4-3-9(7-11(10)13)16-6-5-12(14)15-16/h3-8,10-11H,1-2H3,(H2,14,15)
InChIKeyWHUMGLVINKRIIZ-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.49
Rot. Bonds2

About 1-(3-fluoro-4-propan-2-ylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine

1-(3-fluoro-4-propan-2-ylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine (PubChem CID 143818136) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-(3-fluoro-4-propan-2-ylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-propan-2-ylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine
PubChem CID143818136
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC Name1-(3-fluoro-4-propan-2-ylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine
SMILESCC(C)C1C=CC(n2ccc(N)n2)=CC1F
InChIInChI=1S/C12H16FN3/c1-8(2)10-4-3-9(7-11(10)13)16-6-5-12(14)15-16/h3-8,10-11H,1-2H3,(H2,14,15)
InChIKeyWHUMGLVINKRIIZ-UHFFFAOYSA-N
XLogP2.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrazol-3-amine
CID 66588278
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-[(6-Fluorocyclohexa-2,4-dien-1-yl)methyl]-3-thionitrosopyrazole
CID 89742467
1-[(3E)-5-fluoro-2-methylpenta-1,3-dien-3-yl]pyrazol-3-amine
CID 134596494
1-(3-fluoro-4-propan-2-ylcyclohexa-1,5-dien-1-yl)-N-methylpyrazol-3-amine
CID 135232912
1-(4-Ethyl-3-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine
CID 135232950
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
N-[(3E)-5-(2-fluoro-2-methylcyclopropyl)penta-1,3-dien-2-yl]-1-methylpyrazol-3-amine
CID 177342696
1-Cyclohexa-1,5-dien-1-ylpyrazol-3-amine
CID 53400251
1-(Cyclohexa-1,5-dien-1-ylmethyl)pyrazol-3-amine
CID 67934717

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-propan-2-ylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine?
The IUPAC name of 1-(3-fluoro-4-propan-2-ylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine (CID 143818136) is 1-(3-fluoro-4-propan-2-ylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(3-fluoro-4-propan-2-ylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine?
The canonical SMILES for 1-(3-fluoro-4-propan-2-ylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine is CC(C)C1C=CC(n2ccc(N)n2)=CC1F.
What is the InChIKey of 1-(3-fluoro-4-propan-2-ylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine?
The InChIKey is WHUMGLVINKRIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3/c1-8(2)10-4-3-9(7-11(10)13)16-6-5-12(14)15-16/h3-8,10-11H,1-2H3,(H2,14,15).
What are the key properties of 1-(3-fluoro-4-propan-2-ylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine?
1-(3-fluoro-4-propan-2-ylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine has a molecular weight of 221.28 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-propan-2-ylcyclohexa-1,5-dien-1-yl)pyrazol-3-amine is sourced from PubChem (CID 143818136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).