N-[1-(3-fluorophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine

C17H24FN3 — CID 114871423

IUPACN-[1-(3-fluorophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCCC(Nc1c(C)nn(C(C)C)c1C)c1cccc(F)c1
InChIInChI=1S/C17H24FN3/c1-6-16(14-8-7-9-15(18)10-14)19-17-12(4)20-21(11(2)3)13(17)5/h7-11,16,19H,6H2,1-5H3
InChIKeyAHODBJQRQZHXQH-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.78
Rot. Bonds5

About N-[1-(3-fluorophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine

N-[1-(3-fluorophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 114871423) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
PubChem CID114871423
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC NameN-[1-(3-fluorophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCCC(Nc1c(C)nn(C(C)C)c1C)c1cccc(F)c1
InChIInChI=1S/C17H24FN3/c1-6-16(14-8-7-9-15(18)10-14)19-17-12(4)20-21(11(2)3)13(17)5/h7-11,16,19H,6H2,1-5H3
InChIKeyAHODBJQRQZHXQH-UHFFFAOYSA-N
XLogP4.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 60932836
2-chloro-N-[1-(3-fluorophenyl)propyl]-4-methylpyridin-3-amine
CID 114871652
N-[1-(4-fluorophenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 60931206
N-[1-(3-fluorophenyl)propyl]-3-methylaniline
CID 114870935
3-ethyl-N-[1-(3-fluorophenyl)propyl]-1-methylpyrazol-4-amine
CID 102613275
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
4-butan-2-yl-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871220
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871791
4-bromo-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871024
4-fluoro-N-[1-(3-fluorophenyl)propyl]-2-iodoaniline
CID 114871694
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871685
2-[1-(3-fluorophenyl)propyl]-1,1-dimethylhydrazine
CID 114871774

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-[1-(3-fluorophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (CID 114871423) is N-[1-(3-fluorophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is CCC(Nc1c(C)nn(C(C)C)c1C)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is AHODBJQRQZHXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-6-16(14-8-7-9-15(18)10-14)19-17-12(4)20-21(11(2)3)13(17)5/h7-11,16,19H,6H2,1-5H3.
What are the key properties of N-[1-(3-fluorophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
N-[1-(3-fluorophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 289.40 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 114871423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).