N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbutan-1-amine

C14H18FN3 — CID 155449267

IUPACN-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbutan-1-amine
SMILESFc1ccc(CNCCCCn2cccn2)cc1
InChIInChI=1S/C14H18FN3/c15-14-6-4-13(5-7-14)12-16-8-1-2-10-18-11-3-9-17-18/h3-7,9,11,16H,1-2,8,10,12H2
InChIKeyOIEDANKIYATGLY-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.59
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbutan-1-amine

N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbutan-1-amine (PubChem CID 155449267) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbutan-1-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbutan-1-amine
PubChem CID155449267
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC NameN-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbutan-1-amine
SMILESFc1ccc(CNCCCCn2cccn2)cc1
InChIInChI=1S/C14H18FN3/c15-14-6-4-13(5-7-14)12-16-8-1-2-10-18-11-3-9-17-18/h3-7,9,11,16H,1-2,8,10,12H2
InChIKeyOIEDANKIYATGLY-UHFFFAOYSA-N
XLogP2.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.59
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

3-pyrazol-1-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine
CID 115580174
2-fluoro-4-[(3-pyrazol-1-ylpropylamino)methyl]benzoic acid
CID 106700408
N-methyl-4-[(3-pyrazol-1-ylpropylamino)methyl]benzamide
CID 115592031
2-[4-[(3-pyrazol-1-ylpropylamino)methyl]phenoxy]acetamide
CID 115592036
(2R)-1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)propan-2-amine
CID 97229635
N-(isoquinolin-6-ylmethyl)-3-pyrazol-1-ylpropan-1-amine
CID 107038897
5-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37393794
N-[(4-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155304
1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-pyrazol-1-ylpropyl)thiourea
CID 19574660
N-[(4-fluorophenyl)methyl]-4-iodobutan-1-amine
CID 106844450
N'-[(4-fluorophenyl)methyl]butane-1,4-diamine
CID 11140144
1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 37392369

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbutan-1-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbutan-1-amine (CID 155449267) is N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbutan-1-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbutan-1-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbutan-1-amine is Fc1ccc(CNCCCCn2cccn2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbutan-1-amine?
The InChIKey is OIEDANKIYATGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c15-14-6-4-13(5-7-14)12-16-8-1-2-10-18-11-3-9-17-18/h3-7,9,11,16H,1-2,8,10,12H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbutan-1-amine?
N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbutan-1-amine has a molecular weight of 247.32 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbutan-1-amine is sourced from PubChem (CID 155449267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).