1-(4-fluorophenyl)-4-methoxy-N-(3-methoxypropyl)pyrazole-3-carboxamide

C15H18FN3O3 — CID 25284338

IUPAC1-(4-fluorophenyl)-4-methoxy-N-(3-methoxypropyl)pyrazole-3-carboxamide
SMILESCOCCCNC(=O)c1nn(-c2ccc(F)cc2)cc1OC
InChIInChI=1S/C15H18FN3O3/c1-21-9-3-8-17-15(20)14-13(22-2)10-19(18-14)12-6-4-11(16)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,17,20)
InChIKeyGJVQEMBTGRURCX-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.79
Rot. Bonds7

About 1-(4-fluorophenyl)-4-methoxy-N-(3-methoxypropyl)pyrazole-3-carboxamide

1-(4-fluorophenyl)-4-methoxy-N-(3-methoxypropyl)pyrazole-3-carboxamide (PubChem CID 25284338) has the molecular formula C15H18FN3O3 and a molecular weight of 307.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methoxy-N-(3-methoxypropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methoxy-N-(3-methoxypropyl)pyrazole-3-carboxamide
PubChem CID25284338
Molecular FormulaC15H18FN3O3
Molecular Weight307.33 g/mol
Exact Mass307.13
IUPAC Name1-(4-fluorophenyl)-4-methoxy-N-(3-methoxypropyl)pyrazole-3-carboxamide
SMILESCOCCCNC(=O)c1nn(-c2ccc(F)cc2)cc1OC
InChIInChI=1S/C15H18FN3O3/c1-21-9-3-8-17-15(20)14-13(22-2)10-19(18-14)12-6-4-11(16)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,17,20)
InChIKeyGJVQEMBTGRURCX-UHFFFAOYSA-N
XLogP1.79
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methoxy-N-(3-methoxypropyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4-methoxy-N-(3-methoxypropyl)pyrazole-3-carboxamide (CID 25284338) is 1-(4-fluorophenyl)-4-methoxy-N-(3-methoxypropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methoxy-N-(3-methoxypropyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4-methoxy-N-(3-methoxypropyl)pyrazole-3-carboxamide is COCCCNC(=O)c1nn(-c2ccc(F)cc2)cc1OC.
What is the InChIKey of 1-(4-fluorophenyl)-4-methoxy-N-(3-methoxypropyl)pyrazole-3-carboxamide?
The InChIKey is GJVQEMBTGRURCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3/c1-21-9-3-8-17-15(20)14-13(22-2)10-19(18-14)12-6-4-11(16)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,17,20).
What are the key properties of 1-(4-fluorophenyl)-4-methoxy-N-(3-methoxypropyl)pyrazole-3-carboxamide?
1-(4-fluorophenyl)-4-methoxy-N-(3-methoxypropyl)pyrazole-3-carboxamide has a molecular weight of 307.33 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methoxy-N-(3-methoxypropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 25284338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).