N-(4-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl)-1H-pyrazol-5-amine

C14H20FN3 — CID 175825076

IUPACN-(4-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl)-1H-pyrazol-5-amine
SMILESCC1=C(F)C=C(C(C)C)C(C)(Nc2ccn[nH]2)C1
InChIInChI=1S/C14H20FN3/c1-9(2)11-7-12(15)10(3)8-14(11,4)17-13-5-6-16-18-13/h5-7,9H,8H2,1-4H3,(H2,16,17,18)
InChIKeyFBRKGJQDOSBYRS-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.81
Rot. Bonds3

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

N-(4-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl)-1H-pyrazol-5-amine (PubChem CID 175825076) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is N-(4-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-(4-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl)-1H-pyrazol-5-amine
PubChem CID175825076
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC NameN-(4-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl)-1H-pyrazol-5-amine
SMILESCC1=C(F)C=C(C(C)C)C(C)(Nc2ccn[nH]2)C1
InChIInChI=1S/C14H20FN3/c1-9(2)11-7-12(15)10(3)8-14(11,4)17-13-5-6-16-18-13/h5-7,9H,8H2,1-4H3,(H2,16,17,18)
InChIKeyFBRKGJQDOSBYRS-UHFFFAOYSA-N
XLogP3.81
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl)-1H-pyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl)-1H-pyrazol-5-amine?
The IUPAC name of N-(4-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl)-1H-pyrazol-5-amine (CID 175825076) is N-(4-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for N-(4-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl)-1H-pyrazol-5-amine?
The canonical SMILES for N-(4-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl)-1H-pyrazol-5-amine is CC1=C(F)C=C(C(C)C)C(C)(Nc2ccn[nH]2)C1.
What is the InChIKey of N-(4-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl)-1H-pyrazol-5-amine?
The InChIKey is FBRKGJQDOSBYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-9(2)11-7-12(15)10(3)8-14(11,4)17-13-5-6-16-18-13/h5-7,9H,8H2,1-4H3,(H2,16,17,18).
What are the key properties of N-(4-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl)-1H-pyrazol-5-amine?
N-(4-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl)-1H-pyrazol-5-amine has a molecular weight of 249.33 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 175825076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).