1-(2-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine

C9H10FN3 — CID 70216304

IUPAC1-(2-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine
SMILESNc1ccn(C2=C(F)CCC=C2)n1
InChIInChI=1S/C9H10FN3/c10-7-3-1-2-4-8(7)13-6-5-9(11)12-13/h2,4-6H,1,3H2,(H2,11,12)
InChIKeyANZWNFCUHAOVHM-UHFFFAOYSA-N
MW179.20 g/mol
LogP1.95
Rot. Bonds1

About 1-(2-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine

1-(2-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine (PubChem CID 70216304) has the molecular formula C9H10FN3 and a molecular weight of 179.20 g/mol. Its IUPAC name is 1-(2-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine
PubChem CID70216304
Molecular FormulaC9H10FN3
Molecular Weight179.20 g/mol
Exact Mass179.09
IUPAC Name1-(2-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine
SMILESNc1ccn(C2=C(F)CCC=C2)n1
InChIInChI=1S/C9H10FN3/c10-7-3-1-2-4-8(7)13-6-5-9(11)12-13/h2,4-6H,1,3H2,(H2,11,12)
InChIKeyANZWNFCUHAOVHM-UHFFFAOYSA-N
XLogP1.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine?
The IUPAC name of 1-(2-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine (CID 70216304) is 1-(2-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(2-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine?
The canonical SMILES for 1-(2-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine is Nc1ccn(C2=C(F)CCC=C2)n1.
What is the InChIKey of 1-(2-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine?
The InChIKey is ANZWNFCUHAOVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3/c10-7-3-1-2-4-8(7)13-6-5-9(11)12-13/h2,4-6H,1,3H2,(H2,11,12).
What are the key properties of 1-(2-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine?
1-(2-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine has a molecular weight of 179.20 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine is sourced from PubChem (CID 70216304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).