1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]pyrazol-4-amine

C14H18FN3 — CID 115922678

IUPAC1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]pyrazol-4-amine
SMILESCCn1cc(NC(C)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C14H18FN3/c1-3-18-10-14(9-16-18)17-11(2)8-12-4-6-13(15)7-5-12/h4-7,9-11,17H,3,8H2,1-2H3
InChIKeyIJEFPOBSOQMNBH-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.09
Rot. Bonds5

About 1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]pyrazol-4-amine

1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]pyrazol-4-amine (PubChem CID 115922678) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]pyrazol-4-amine
PubChem CID115922678
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]pyrazol-4-amine
SMILESCCn1cc(NC(C)Cc2ccc(F)cc2)cn1
InChIInChI=1S/C14H18FN3/c1-3-18-10-14(9-16-18)17-11(2)8-12-4-6-13(15)7-5-12/h4-7,9-11,17H,3,8H2,1-2H3
InChIKeyIJEFPOBSOQMNBH-UHFFFAOYSA-N
XLogP3.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-(4-fluorophenyl)propan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017463
1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine
CID 43543392
1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]imidazol-2-amine
CID 62995363
1-ethyl-N-(4-methoxy-4-methylpentan-2-yl)pyrazol-4-amine
CID 43543286
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-propylpyrazol-4-amine
CID 99825558
N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine
CID 115922661
5-bromo-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-3-amine
CID 113243712
1-ethyl-N-[1-(4-ethylphenyl)propyl]pyrazol-4-amine
CID 43543260
2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine
CID 62126251
5-[1-(4-fluorophenyl)propan-2-ylamino]-1-propylpyridin-2-one
CID 114829289
4-[3-chloro-2-(4-fluorophenyl)propyl]-1-ethylpyrazole
CID 79437493
2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-N-methylethanamine
CID 55041100

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]pyrazol-4-amine?
The IUPAC name of 1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]pyrazol-4-amine (CID 115922678) is 1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]pyrazol-4-amine is CCn1cc(NC(C)Cc2ccc(F)cc2)cn1.
What is the InChIKey of 1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]pyrazol-4-amine?
The InChIKey is IJEFPOBSOQMNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-3-18-10-14(9-16-18)17-11(2)8-12-4-6-13(15)7-5-12/h4-7,9-11,17H,3,8H2,1-2H3.
What are the key properties of 1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]pyrazol-4-amine?
1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]pyrazol-4-amine has a molecular weight of 247.32 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]pyrazol-4-amine is sourced from PubChem (CID 115922678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).