1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-4-propoxypyrazole-3-carboxamide

C19H22FN5O2 — CID 42109765

IUPAC1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-4-propoxypyrazole-3-carboxamide
SMILESCCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C19H22FN5O2/c1-2-12-27-17-13-25(16-6-4-15(20)5-7-16)23-18(17)19(26)22-8-3-10-24-11-9-21-14-24/h4-7,9,11,13-14H,2-3,8,10,12H2,1H3,(H,22,26)
InChIKeyUWMUJUKIIJVOOK-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.82
Rot. Bonds9

About 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-4-propoxypyrazole-3-carboxamide

1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-4-propoxypyrazole-3-carboxamide (PubChem CID 42109765) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-4-propoxypyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-4-propoxypyrazole-3-carboxamide
PubChem CID42109765
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-4-propoxypyrazole-3-carboxamide
SMILESCCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C19H22FN5O2/c1-2-12-27-17-13-25(16-6-4-15(20)5-7-16)23-18(17)19(26)22-8-3-10-24-11-9-21-14-24/h4-7,9,11,13-14H,2-3,8,10,12H2,1H3,(H,22,26)
InChIKeyUWMUJUKIIJVOOK-UHFFFAOYSA-N
XLogP2.82
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-N-(2-methoxyethyl)-4-propoxypyrazole-3-carboxamide
CID 42109759
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
N-[2-(dimethylamino)ethyl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 42109714
1-[(1S)-1-(4-fluorophenyl)propyl]-N-(3-imidazol-1-ylpropyl)triazole-4-carboxamide
CID 95802400
4-ethoxy-1-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 30851412
(2R)-2-(4-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
CID 38011679
2,4-diethoxy-N-(3-imidazol-1-ylpropyl)benzamide
CID 6464359
N'-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 2883621
1-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrazole-3-carboxamide
CID 66610665
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39038738
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 72845833
N-cyclopentyl-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 45283984

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-4-propoxypyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-4-propoxypyrazole-3-carboxamide (CID 42109765) is 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-4-propoxypyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-4-propoxypyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-4-propoxypyrazole-3-carboxamide is CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCCn1ccnc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-4-propoxypyrazole-3-carboxamide?
The InChIKey is UWMUJUKIIJVOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-2-12-27-17-13-25(16-6-4-15(20)5-7-16)23-18(17)19(26)22-8-3-10-24-11-9-21-14-24/h4-7,9,11,13-14H,2-3,8,10,12H2,1H3,(H,22,26).
What are the key properties of 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-4-propoxypyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-4-propoxypyrazole-3-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-4-propoxypyrazole-3-carboxamide is sourced from PubChem (CID 42109765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).