3-ethyl-N-[1-(3-fluorophenyl)propyl]-1-methylpyrazol-4-amine

C15H20FN3 — CID 102613275

IUPAC3-ethyl-N-[1-(3-fluorophenyl)propyl]-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NC(CC)c1cccc(F)c1
InChIInChI=1S/C15H20FN3/c1-4-13(11-7-6-8-12(16)9-11)17-15-10-19(3)18-14(15)5-2/h6-10,13,17H,4-5H2,1-3H3
InChIKeyMIHVOYGWZOJIFO-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.68
Rot. Bonds5

About 3-ethyl-N-[1-(3-fluorophenyl)propyl]-1-methylpyrazol-4-amine

3-ethyl-N-[1-(3-fluorophenyl)propyl]-1-methylpyrazol-4-amine (PubChem CID 102613275) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 3-ethyl-N-[1-(3-fluorophenyl)propyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-N-[1-(3-fluorophenyl)propyl]-1-methylpyrazol-4-amine
PubChem CID102613275
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name3-ethyl-N-[1-(3-fluorophenyl)propyl]-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NC(CC)c1cccc(F)c1
InChIInChI=1S/C15H20FN3/c1-4-13(11-7-6-8-12(16)9-11)17-15-10-19(3)18-14(15)5-2/h6-10,13,17H,4-5H2,1-3H3
InChIKeyMIHVOYGWZOJIFO-UHFFFAOYSA-N
XLogP3.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazol-4-amine
CID 103932600
1-(3-ethyl-1-methylpyrazol-4-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 102812002
3-ethyl-N-[1-(4-methoxyphenyl)propyl]-1-methylpyrazol-4-amine
CID 103932474
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871791
4-fluoro-N-[1-(3-fluorophenyl)propyl]-2-iodoaniline
CID 114871694
4-bromo-2,3-dichloro-N-[1-(3-fluorophenyl)propyl]aniline
CID 107787553
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
3-ethyl-1-methyl-N-(1-phenyl-3-pyridin-3-ylpropyl)pyrazol-4-amine
CID 166253681
3-ethyl-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrazol-4-amine
CID 103932487
N-[1-(3-fluorophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 114871423
2-fluoro-6-[1-(3-fluorophenyl)propylamino]benzonitrile
CID 114871194
N-[1-(3-fluorophenyl)propyl]-2-methyl-3-nitroaniline
CID 114871287

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-(3-fluorophenyl)propyl]-1-methylpyrazol-4-amine?
The IUPAC name of 3-ethyl-N-[1-(3-fluorophenyl)propyl]-1-methylpyrazol-4-amine (CID 102613275) is 3-ethyl-N-[1-(3-fluorophenyl)propyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-ethyl-N-[1-(3-fluorophenyl)propyl]-1-methylpyrazol-4-amine?
The canonical SMILES for 3-ethyl-N-[1-(3-fluorophenyl)propyl]-1-methylpyrazol-4-amine is CCc1nn(C)cc1NC(CC)c1cccc(F)c1.
What is the InChIKey of 3-ethyl-N-[1-(3-fluorophenyl)propyl]-1-methylpyrazol-4-amine?
The InChIKey is MIHVOYGWZOJIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-4-13(11-7-6-8-12(16)9-11)17-15-10-19(3)18-14(15)5-2/h6-10,13,17H,4-5H2,1-3H3.
What are the key properties of 3-ethyl-N-[1-(3-fluorophenyl)propyl]-1-methylpyrazol-4-amine?
3-ethyl-N-[1-(3-fluorophenyl)propyl]-1-methylpyrazol-4-amine has a molecular weight of 261.34 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-(3-fluorophenyl)propyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 102613275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).