(2R)-1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-2-amine

C15H20FN3 — CID 97229635

IUPAC(2R)-1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-2-amine
SMILESC[C@H](Cc1ccc(F)cc1)NCCCn1cccn1
InChIInChI=1S/C15H20FN3/c1-13(12-14-4-6-15(16)7-5-14)17-8-2-10-19-11-3-9-18-19/h3-7,9,11,13,17H,2,8,10,12H2,1H3/t13-/m1/s1
InChIKeyQCULSYNJECUCPR-CYBMUJFWSA-N
MW261.34 g/mol
LogP2.63
Rot. Bonds7

About (2R)-1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-2-amine

(2R)-1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-2-amine (PubChem CID 97229635) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is (2R)-1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-2-amine
PubChem CID97229635
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name(2R)-1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-2-amine
SMILESC[C@H](Cc1ccc(F)cc1)NCCCn1cccn1
InChIInChI=1S/C15H20FN3/c1-13(12-14-4-6-15(16)7-5-14)17-8-2-10-19-11-3-9-18-19/h3-7,9,11,13,17H,2,8,10,12H2,1H3/t13-/m1/s1
InChIKeyQCULSYNJECUCPR-CYBMUJFWSA-N
XLogP2.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708566
N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine
CID 83155525
N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbutan-1-amine
CID 155449267
N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435020
4-[1-(4-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 62996197
N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708568
N-(3-pyrazol-1-ylpropyl)octan-2-amine
CID 112700088
(2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine
CID 7047069
N-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine
CID 114828384
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide
CID 47039371
N-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine
CID 62997090
N-[3-(4-fluorophenyl)propyl]-1-(4-pyridin-3-ylphenyl)propan-2-amine
CID 155119456

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-2-amine?
The IUPAC name of (2R)-1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-2-amine (CID 97229635) is (2R)-1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-2-amine?
The canonical SMILES for (2R)-1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-2-amine is C[C@H](Cc1ccc(F)cc1)NCCCn1cccn1.
What is the InChIKey of (2R)-1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-2-amine?
The InChIKey is QCULSYNJECUCPR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20FN3/c1-13(12-14-4-6-15(16)7-5-14)17-8-2-10-19-11-3-9-18-19/h3-7,9,11,13,17H,2,8,10,12H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-2-amine?
(2R)-1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-2-amine has a molecular weight of 261.34 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-2-amine is sourced from PubChem (CID 97229635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).