N-[1-(4-fluorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine

C14H18FN3 — CID 43547306

IUPACN-[1-(4-fluorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCCC(Nc1c(C)n[nH]c1C)c1ccc(F)cc1
InChIInChI=1S/C14H18FN3/c1-4-13(11-5-7-12(15)8-6-11)16-14-9(2)17-18-10(14)3/h5-8,13,16H,4H2,1-3H3,(H,17,18)
InChIKeyFHENIZRDYUBXAJ-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.73
Rot. Bonds4

About N-[1-(4-fluorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine

N-[1-(4-fluorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 43547306) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine
PubChem CID43547306
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC NameN-[1-(4-fluorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCCC(Nc1c(C)n[nH]c1C)c1ccc(F)cc1
InChIInChI=1S/C14H18FN3/c1-4-13(11-5-7-12(15)8-6-11)16-14-9(2)17-18-10(14)3/h5-8,13,16H,4H2,1-3H3,(H,17,18)
InChIKeyFHENIZRDYUBXAJ-UHFFFAOYSA-N
XLogP3.73
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of N-[1-(4-fluorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine (CID 43547306) is N-[1-(4-fluorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine is CCC(Nc1c(C)n[nH]c1C)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is FHENIZRDYUBXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-4-13(11-5-7-12(15)8-6-11)16-14-9(2)17-18-10(14)3/h5-8,13,16H,4H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(4-fluorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine?
N-[1-(4-fluorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 247.32 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 43547306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).