N-(2-phenoxyphenyl)-5-propyl-1H-pyrazole-3-carboxamide

C19H19N3O2 — CID 37140229

IUPACN-(2-phenoxyphenyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccccc2Oc2ccccc2)n[nH]1
InChIInChI=1S/C19H19N3O2/c1-2-8-14-13-17(22-21-14)19(23)20-16-11-6-7-12-18(16)24-15-9-4-3-5-10-15/h3-7,9-13H,2,8H2,1H3,(H,20,23)(H,21,22)
InChIKeyQIPDQWPLUUYAEA-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.41
Rot. Bonds6

About N-(2-phenoxyphenyl)-5-propyl-1H-pyrazole-3-carboxamide

N-(2-phenoxyphenyl)-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 37140229) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(2-phenoxyphenyl)-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyphenyl)-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID37140229
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(2-phenoxyphenyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccccc2Oc2ccccc2)n[nH]1
InChIInChI=1S/C19H19N3O2/c1-2-8-14-13-17(22-21-14)19(23)20-16-11-6-7-12-18(16)24-15-9-4-3-5-10-15/h3-7,9-13H,2,8H2,1H3,(H,20,23)(H,21,22)
InChIKeyQIPDQWPLUUYAEA-UHFFFAOYSA-N
XLogP4.41
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyphenyl)-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-phenoxyphenyl)-5-propyl-1H-pyrazole-3-carboxamide (CID 37140229) is N-(2-phenoxyphenyl)-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-phenoxyphenyl)-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-phenoxyphenyl)-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)Nc2ccccc2Oc2ccccc2)n[nH]1.
What is the InChIKey of N-(2-phenoxyphenyl)-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is QIPDQWPLUUYAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-8-14-13-17(22-21-14)19(23)20-16-11-6-7-12-18(16)24-15-9-4-3-5-10-15/h3-7,9-13H,2,8H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-(2-phenoxyphenyl)-5-propyl-1H-pyrazole-3-carboxamide?
N-(2-phenoxyphenyl)-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyphenyl)-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 37140229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).