4-fluoro-3-(1-propylpyrazol-4-yl)aniline

C12H14FN3 — CID 104781165

IUPAC4-fluoro-3-(1-propylpyrazol-4-yl)aniline
SMILESCCCn1cc(-c2cc(N)ccc2F)cn1
InChIInChI=1S/C12H14FN3/c1-2-5-16-8-9(7-15-16)11-6-10(14)3-4-12(11)13/h3-4,6-8H,2,5,14H2,1H3
InChIKeyVGNOTWUXHPLQGX-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.68
Rot. Bonds3

About 4-fluoro-3-(1-propylpyrazol-4-yl)aniline

4-fluoro-3-(1-propylpyrazol-4-yl)aniline (PubChem CID 104781165) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 4-fluoro-3-(1-propylpyrazol-4-yl)aniline.

Molecular Properties

Compound Name4-fluoro-3-(1-propylpyrazol-4-yl)aniline
PubChem CID104781165
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name4-fluoro-3-(1-propylpyrazol-4-yl)aniline
SMILESCCCn1cc(-c2cc(N)ccc2F)cn1
InChIInChI=1S/C12H14FN3/c1-2-5-16-8-9(7-15-16)11-6-10(14)3-4-12(11)13/h3-4,6-8H,2,5,14H2,1H3
InChIKeyVGNOTWUXHPLQGX-UHFFFAOYSA-N
XLogP2.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-3-(1-propylpyrazol-4-yl)aniline
CID 171921636
5-fluoro-2-(1-propylpyrazol-4-yl)phenol
CID 83130519
6-methyl-5-(1-propylpyrazol-4-yl)pyridin-2-amine
CID 79048911
2-fluoro-6-(1-propylpyrazol-4-yl)benzoic acid
CID 114560299
4-(1-propylpyrazol-4-yl)pyridin-2-amine
CID 104877313
3-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoroaniline
CID 104781283
3-chloro-4-(1-ethylpyrazol-4-yl)aniline
CID 107615727
4-(1-butylpyrazol-4-yl)-3-fluoro-2-methylaniline
CID 171906285
2-[2-fluoro-4-(1-propylpyrazol-4-yl)phenyl]acetic acid
CID 166241060
[2-methyl-3-(1-propylpyrazol-4-yl)phenyl]methanamine;hydrochloride
CID 171364566
6-chloro-2-(1-propylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-amine
CID 103573153
2-[4-(4-ethylphenyl)pyrazol-1-yl]ethanamine
CID 82113702

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(1-propylpyrazol-4-yl)aniline?
The IUPAC name of 4-fluoro-3-(1-propylpyrazol-4-yl)aniline (CID 104781165) is 4-fluoro-3-(1-propylpyrazol-4-yl)aniline.
What is the SMILES notation for 4-fluoro-3-(1-propylpyrazol-4-yl)aniline?
The canonical SMILES for 4-fluoro-3-(1-propylpyrazol-4-yl)aniline is CCCn1cc(-c2cc(N)ccc2F)cn1.
What is the InChIKey of 4-fluoro-3-(1-propylpyrazol-4-yl)aniline?
The InChIKey is VGNOTWUXHPLQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-2-5-16-8-9(7-15-16)11-6-10(14)3-4-12(11)13/h3-4,6-8H,2,5,14H2,1H3.
What are the key properties of 4-fluoro-3-(1-propylpyrazol-4-yl)aniline?
4-fluoro-3-(1-propylpyrazol-4-yl)aniline has a molecular weight of 219.26 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(1-propylpyrazol-4-yl)aniline is sourced from PubChem (CID 104781165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).