N-(4-butoxyphenyl)-4-(3,5-diphenylpyrazol-1-yl)benzamide

C32H29N3O2 — CID 4862276

IUPACN-(4-butoxyphenyl)-4-(3,5-diphenylpyrazol-1-yl)benzamide
SMILESCCCCOc1ccc(NC(=O)c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C32H29N3O2/c1-2-3-22-37-29-20-16-27(17-21-29)33-32(36)26-14-18-28(19-15-26)35-31(25-12-8-5-9-13-25)23-30(34-35)24-10-6-4-7-11-24/h4-21,23H,2-3,22H2,1H3,(H,33,36)
InChIKeyRNKLDRPKYTWUKP-UHFFFAOYSA-N
MW487.60 g/mol
LogP7.64
Rot. Bonds9

About N-(4-butoxyphenyl)-4-(3,5-diphenylpyrazol-1-yl)benzamide

N-(4-butoxyphenyl)-4-(3,5-diphenylpyrazol-1-yl)benzamide (PubChem CID 4862276) has the molecular formula C32H29N3O2 and a molecular weight of 487.60 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-4-(3,5-diphenylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-4-(3,5-diphenylpyrazol-1-yl)benzamide
PubChem CID4862276
Molecular FormulaC32H29N3O2
Molecular Weight487.60 g/mol
Exact Mass487.23
IUPAC NameN-(4-butoxyphenyl)-4-(3,5-diphenylpyrazol-1-yl)benzamide
SMILESCCCCOc1ccc(NC(=O)c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C32H29N3O2/c1-2-3-22-37-29-20-16-27(17-21-29)33-32(36)26-14-18-28(19-15-26)35-31(25-12-8-5-9-13-25)23-30(34-35)24-10-6-4-7-11-24/h4-21,23H,2-3,22H2,1H3,(H,33,36)
InChIKeyRNKLDRPKYTWUKP-UHFFFAOYSA-N
XLogP7.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-butoxyphenyl)-4-(3,5-diphenylpyrazol-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130195
4-ethoxy-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
CID 4607440
N-(4-pentoxyphenyl)-4-phenoxybenzamide
CID 5048433
4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17066999
N-[4-[5-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]benzamide
CID 162664109
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
N'-(4-butoxybenzoyl)-4-phenylbenzohydrazide
CID 3096307
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 26586379
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4114659

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-4-(3,5-diphenylpyrazol-1-yl)benzamide?
The IUPAC name of N-(4-butoxyphenyl)-4-(3,5-diphenylpyrazol-1-yl)benzamide (CID 4862276) is N-(4-butoxyphenyl)-4-(3,5-diphenylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(4-butoxyphenyl)-4-(3,5-diphenylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(4-butoxyphenyl)-4-(3,5-diphenylpyrazol-1-yl)benzamide is CCCCOc1ccc(NC(=O)c2ccc(-n3nc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-4-(3,5-diphenylpyrazol-1-yl)benzamide?
The InChIKey is RNKLDRPKYTWUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O2/c1-2-3-22-37-29-20-16-27(17-21-29)33-32(36)26-14-18-28(19-15-26)35-31(25-12-8-5-9-13-25)23-30(34-35)24-10-6-4-7-11-24/h4-21,23H,2-3,22H2,1H3,(H,33,36).
What are the key properties of N-(4-butoxyphenyl)-4-(3,5-diphenylpyrazol-1-yl)benzamide?
N-(4-butoxyphenyl)-4-(3,5-diphenylpyrazol-1-yl)benzamide has a molecular weight of 487.60 g/mol, XLogP of 7.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-4-(3,5-diphenylpyrazol-1-yl)benzamide is sourced from PubChem (CID 4862276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).