5-(4-chlorophenyl)-N-(3-phenoxypropyl)-1H-pyrazole-4-carboxamide

C19H18ClN3O2 — CID 18226549

IUPAC5-(4-chlorophenyl)-N-(3-phenoxypropyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCCCOc1ccccc1)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O2/c20-15-9-7-14(8-10-15)18-17(13-22-23-18)19(24)21-11-4-12-25-16-5-2-1-3-6-16/h1-3,5-10,13H,4,11-12H2,(H,21,24)(H,22,23)
InChIKeyHMVHJVDKBKTTCX-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.93
Rot. Bonds7

About 5-(4-chlorophenyl)-N-(3-phenoxypropyl)-1H-pyrazole-4-carboxamide

5-(4-chlorophenyl)-N-(3-phenoxypropyl)-1H-pyrazole-4-carboxamide (PubChem CID 18226549) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(3-phenoxypropyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(3-phenoxypropyl)-1H-pyrazole-4-carboxamide
PubChem CID18226549
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name5-(4-chlorophenyl)-N-(3-phenoxypropyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCCCOc1ccccc1)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O2/c20-15-9-7-14(8-10-15)18-17(13-22-23-18)19(24)21-11-4-12-25-16-5-2-1-3-6-16/h1-3,5-10,13H,4,11-12H2,(H,21,24)(H,22,23)
InChIKeyHMVHJVDKBKTTCX-UHFFFAOYSA-N
XLogP3.93
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-(4-chlorophenyl)-N-(3-phenoxypropyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(3-phenoxypropyl)-1H-pyrazole-4-carboxamide (CID 18226549) is 5-(4-chlorophenyl)-N-(3-phenoxypropyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(3-phenoxypropyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(3-phenoxypropyl)-1H-pyrazole-4-carboxamide is O=C(NCCCOc1ccccc1)c1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(3-phenoxypropyl)-1H-pyrazole-4-carboxamide?
The InChIKey is HMVHJVDKBKTTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c20-15-9-7-14(8-10-15)18-17(13-22-23-18)19(24)21-11-4-12-25-16-5-2-1-3-6-16/h1-3,5-10,13H,4,11-12H2,(H,21,24)(H,22,23).
What are the key properties of 5-(4-chlorophenyl)-N-(3-phenoxypropyl)-1H-pyrazole-4-carboxamide?
5-(4-chlorophenyl)-N-(3-phenoxypropyl)-1H-pyrazole-4-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(3-phenoxypropyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 18226549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).