N-(2-benzoylphenyl)-1-propylpyrazole-3-carboxamide

C20H19N3O2 — CID 35325275

IUPACN-(2-benzoylphenyl)-1-propylpyrazole-3-carboxamide
SMILESCCCn1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)n1
InChIInChI=1S/C20H19N3O2/c1-2-13-23-14-12-18(22-23)20(25)21-17-11-7-6-10-16(17)19(24)15-8-4-3-5-9-15/h3-12,14H,2,13H2,1H3,(H,21,25)
InChIKeyATWALGSGDQYJPN-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.78
Rot. Bonds6

About N-(2-benzoylphenyl)-1-propylpyrazole-3-carboxamide

N-(2-benzoylphenyl)-1-propylpyrazole-3-carboxamide (PubChem CID 35325275) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-1-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-1-propylpyrazole-3-carboxamide
PubChem CID35325275
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(2-benzoylphenyl)-1-propylpyrazole-3-carboxamide
SMILESCCCn1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)n1
InChIInChI=1S/C20H19N3O2/c1-2-13-23-14-12-18(22-23)20(25)21-17-11-7-6-10-16(17)19(24)15-8-4-3-5-9-15/h3-12,14H,2,13H2,1H3,(H,21,25)
InChIKeyATWALGSGDQYJPN-UHFFFAOYSA-N
XLogP3.78
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-benzoylphenyl)-4-bromo-1-ethylpyrazole-3-carboxamide
CID 35325026
N-(2-benzoyl-4-chlorophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277363
N-(3-methyl-2-pyridinyl)-1-propylpyrazole-3-carboxamide
CID 35325097
[2-(2-benzoylanilino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 30696795
methyl 1-propylpyrazole-3-carboxylate
CID 25247474
[2-(ethylamino)phenyl]-phenylmethanone
CID 3661027
N-(3-chloro-4-methylphenyl)-1-propylpyrazole-3-carboxamide
CID 35534416
1-propyl-N-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 35325067
N-(2-benzoylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2521602
N-(2-benzoylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 35293064
N-(2-benzoylphenyl)-2-oxo-2-phenylacetamide
CID 614189
N-(2-benzoylphenyl)-4-iodobenzamide
CID 76851682

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-1-propylpyrazole-3-carboxamide?
The IUPAC name of N-(2-benzoylphenyl)-1-propylpyrazole-3-carboxamide (CID 35325275) is N-(2-benzoylphenyl)-1-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-benzoylphenyl)-1-propylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-benzoylphenyl)-1-propylpyrazole-3-carboxamide is CCCn1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)n1.
What is the InChIKey of N-(2-benzoylphenyl)-1-propylpyrazole-3-carboxamide?
The InChIKey is ATWALGSGDQYJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-2-13-23-14-12-18(22-23)20(25)21-17-11-7-6-10-16(17)19(24)15-8-4-3-5-9-15/h3-12,14H,2,13H2,1H3,(H,21,25).
What are the key properties of N-(2-benzoylphenyl)-1-propylpyrazole-3-carboxamide?
N-(2-benzoylphenyl)-1-propylpyrazole-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-1-propylpyrazole-3-carboxamide is sourced from PubChem (CID 35325275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).