N-[3-(2-methoxyphenyl)propyl]-1-methyl-5-phenylpyrazole-3-carboxamide

C21H23N3O2 — CID 77083429

IUPACN-[3-(2-methoxyphenyl)propyl]-1-methyl-5-phenylpyrazole-3-carboxamide
SMILESCOc1ccccc1CCCNC(=O)c1cc(-c2ccccc2)n(C)n1
InChIInChI=1S/C21H23N3O2/c1-24-19(16-9-4-3-5-10-16)15-18(23-24)21(25)22-14-8-12-17-11-6-7-13-20(17)26-2/h3-7,9-11,13,15H,8,12,14H2,1-2H3,(H,22,25)
InChIKeyVCDVBFNDNQINIL-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.46
Rot. Bonds7

About N-[3-(2-methoxyphenyl)propyl]-1-methyl-5-phenylpyrazole-3-carboxamide

N-[3-(2-methoxyphenyl)propyl]-1-methyl-5-phenylpyrazole-3-carboxamide (PubChem CID 77083429) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)propyl]-1-methyl-5-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)propyl]-1-methyl-5-phenylpyrazole-3-carboxamide
PubChem CID77083429
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[3-(2-methoxyphenyl)propyl]-1-methyl-5-phenylpyrazole-3-carboxamide
SMILESCOc1ccccc1CCCNC(=O)c1cc(-c2ccccc2)n(C)n1
InChIInChI=1S/C21H23N3O2/c1-24-19(16-9-4-3-5-10-16)15-18(23-24)21(25)22-14-8-12-17-11-6-7-13-20(17)26-2/h3-7,9-11,13,15H,8,12,14H2,1-2H3,(H,22,25)
InChIKeyVCDVBFNDNQINIL-UHFFFAOYSA-N
XLogP3.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336121
N-(2-benzamidoethyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110309443
3,4-dimethoxy-N-[3-(2-methoxyphenyl)propyl]benzamide
CID 99995361
5-(cyclopentanecarbonylamino)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 51999682
N-[3-(2-methoxyphenyl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 16673124
N-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110356838
5-(2-methoxy-5-methylphenyl)-1-methyl-N-propylpyrazole-3-carboxamide
CID 110336742
3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 121088682
N-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271579
6-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278935
5-(4-methoxyphenyl)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 46977397
N-[2-(2-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47098800

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)propyl]-1-methyl-5-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(2-methoxyphenyl)propyl]-1-methyl-5-phenylpyrazole-3-carboxamide (CID 77083429) is N-[3-(2-methoxyphenyl)propyl]-1-methyl-5-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyphenyl)propyl]-1-methyl-5-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(2-methoxyphenyl)propyl]-1-methyl-5-phenylpyrazole-3-carboxamide is COc1ccccc1CCCNC(=O)c1cc(-c2ccccc2)n(C)n1.
What is the InChIKey of N-[3-(2-methoxyphenyl)propyl]-1-methyl-5-phenylpyrazole-3-carboxamide?
The InChIKey is VCDVBFNDNQINIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-24-19(16-9-4-3-5-10-16)15-18(23-24)21(25)22-14-8-12-17-11-6-7-13-20(17)26-2/h3-7,9-11,13,15H,8,12,14H2,1-2H3,(H,22,25).
What are the key properties of N-[3-(2-methoxyphenyl)propyl]-1-methyl-5-phenylpyrazole-3-carboxamide?
N-[3-(2-methoxyphenyl)propyl]-1-methyl-5-phenylpyrazole-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)propyl]-1-methyl-5-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 77083429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).