N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylcyclohex-2-en-1-amine

C19H24FN3 — CID 56574718

IUPACN-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylcyclohex-2-en-1-amine
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C1C=CCCC1
InChIInChI=1S/C19H24FN3/c1-23(18-7-3-2-4-8-18)13-5-6-17-14-19(22-21-17)15-9-11-16(20)12-10-15/h3,7,9-12,14,18H,2,4-6,8,13H2,1H3,(H,21,22)
InChIKeyZERPDNOZWDLVDR-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.19
Rot. Bonds6

About N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylcyclohex-2-en-1-amine

N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylcyclohex-2-en-1-amine (PubChem CID 56574718) has the molecular formula C19H24FN3 and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylcyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylcyclohex-2-en-1-amine
PubChem CID56574718
Molecular FormulaC19H24FN3
Molecular Weight313.42 g/mol
Exact Mass313.20
IUPAC NameN-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylcyclohex-2-en-1-amine
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C1C=CCCC1
InChIInChI=1S/C19H24FN3/c1-23(18-7-3-2-4-8-18)13-5-6-17-14-19(22-21-17)15-9-11-16(20)12-10-15/h3,7,9-12,14,18H,2,4-6,8,13H2,1H3,(H,21,22)
InChIKeyZERPDNOZWDLVDR-UHFFFAOYSA-N
XLogP4.19
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyloxane-4-carboxamide
CID 86998711
N-(diethylsulfamoyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine
CID 86998729
2-bromo-4-fluoro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
CID 55866365
1-[2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanoyl]piperidine-3-carboxamide
CID 56571157
N-(2-cyclopentylpyrazol-3-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide
CID 56539454
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-methylsulfonylbenzenesulfonamide
CID 55914160
3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 95139304
N'-cyclohex-2-en-1-yl-N,N'-dimethylpropane-1,3-diamine
CID 114620612
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-methylphenyl)propanamide
CID 55766895
1-(3-fluorophenyl)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylmethanesulfonamide
CID 56587065
1-amino-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylcyclopropane-1-carboxamide
CID 119757350
3-(cyclopropanecarbonylamino)-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylnaphthalene-2-carboxamide
CID 55866237

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylcyclohex-2-en-1-amine?
The IUPAC name of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylcyclohex-2-en-1-amine (CID 56574718) is N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylcyclohex-2-en-1-amine.
What is the SMILES notation for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylcyclohex-2-en-1-amine?
The canonical SMILES for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylcyclohex-2-en-1-amine is CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C1C=CCCC1.
What is the InChIKey of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylcyclohex-2-en-1-amine?
The InChIKey is ZERPDNOZWDLVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3/c1-23(18-7-3-2-4-8-18)13-5-6-17-14-19(22-21-17)15-9-11-16(20)12-10-15/h3,7,9-12,14,18H,2,4-6,8,13H2,1H3,(H,21,22).
What are the key properties of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylcyclohex-2-en-1-amine?
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylcyclohex-2-en-1-amine has a molecular weight of 313.42 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylcyclohex-2-en-1-amine is sourced from PubChem (CID 56574718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).