N-(3,4-dipropoxyphenyl)-1-phenylpyrazole-3-carboxamide

C22H25N3O3 — CID 39908296

IUPACN-(3,4-dipropoxyphenyl)-1-phenylpyrazole-3-carboxamide
SMILESCCCOc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)cc1OCCC
InChIInChI=1S/C22H25N3O3/c1-3-14-27-20-11-10-17(16-21(20)28-15-4-2)23-22(26)19-12-13-25(24-19)18-8-6-5-7-9-18/h5-13,16H,3-4,14-15H2,1-2H3,(H,23,26)
InChIKeyVMRYGDRXUJFLBE-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.70
Rot. Bonds9

About N-(3,4-dipropoxyphenyl)-1-phenylpyrazole-3-carboxamide

N-(3,4-dipropoxyphenyl)-1-phenylpyrazole-3-carboxamide (PubChem CID 39908296) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(3,4-dipropoxyphenyl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dipropoxyphenyl)-1-phenylpyrazole-3-carboxamide
PubChem CID39908296
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-(3,4-dipropoxyphenyl)-1-phenylpyrazole-3-carboxamide
SMILESCCCOc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)cc1OCCC
InChIInChI=1S/C22H25N3O3/c1-3-14-27-20-11-10-17(16-21(20)28-15-4-2)23-22(26)19-12-13-25(24-19)18-8-6-5-7-9-18/h5-13,16H,3-4,14-15H2,1-2H3,(H,23,26)
InChIKeyVMRYGDRXUJFLBE-UHFFFAOYSA-N
XLogP4.70
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-hydroxyethoxy)phenyl]-1-phenylpyrazole-3-carboxamide
CID 111116210
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1-phenylpyrazole-3-carboxamide
CID 39932948
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 60610195
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-phenylpyrazole-3-carboxamide
CID 39898710
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 98393412
1-tert-butyl-N-(3,4-dipropoxyphenyl)triazole-4-carboxamide
CID 119046998
N-(5-ethyl-1H-pyrazol-3-yl)-1-phenylpyrazole-3-carboxamide
CID 48507926
N-(3-chloro-4-propoxyphenyl)benzamide
CID 47311781
N-[2-(3,4-dipropoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 35617607
N-[4-(difluoromethoxy)phenyl]-1-phenylpyrazole-3-carboxamide
CID 47028819
1-phenyl-N-[4-(1-phenylethylamino)phenyl]pyrazole-3-carboxamide
CID 60563144
1-(4-amino-3-propoxyphenyl)-N-methylpyrazole-3-carboxamide
CID 64782821

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dipropoxyphenyl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(3,4-dipropoxyphenyl)-1-phenylpyrazole-3-carboxamide (CID 39908296) is N-(3,4-dipropoxyphenyl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dipropoxyphenyl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(3,4-dipropoxyphenyl)-1-phenylpyrazole-3-carboxamide is CCCOc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)cc1OCCC.
What is the InChIKey of N-(3,4-dipropoxyphenyl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is VMRYGDRXUJFLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-14-27-20-11-10-17(16-21(20)28-15-4-2)23-22(26)19-12-13-25(24-19)18-8-6-5-7-9-18/h5-13,16H,3-4,14-15H2,1-2H3,(H,23,26).
What are the key properties of N-(3,4-dipropoxyphenyl)-1-phenylpyrazole-3-carboxamide?
N-(3,4-dipropoxyphenyl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dipropoxyphenyl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 39908296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).