N'-[3-methyl-1-(3-methylphenyl)-4-phenylpyrazol-5-yl]-N-(4-methylphenyl)pentanediamide

C29H30N4O2 — CID 4311371

IUPACN'-[3-methyl-1-(3-methylphenyl)-4-phenylpyrazol-5-yl]-N-(4-methylphenyl)pentanediamide
SMILESCc1ccc(NC(=O)CCCC(=O)Nc2c(-c3ccccc3)c(C)nn2-c2cccc(C)c2)cc1
InChIInChI=1S/C29H30N4O2/c1-20-15-17-24(18-16-20)30-26(34)13-8-14-27(35)31-29-28(23-10-5-4-6-11-23)22(3)32-33(29)25-12-7-9-21(2)19-25/h4-7,9-12,15-19H,8,13-14H2,1-3H3,(H,30,34)(H,31,35)
InChIKeyRLMYZIKQYRRBNL-UHFFFAOYSA-N
MW466.59 g/mol
LogP6.21
Rot. Bonds8

About N'-[3-methyl-1-(3-methylphenyl)-4-phenylpyrazol-5-yl]-N-(4-methylphenyl)pentanediamide

N'-[3-methyl-1-(3-methylphenyl)-4-phenylpyrazol-5-yl]-N-(4-methylphenyl)pentanediamide (PubChem CID 4311371) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is N'-[3-methyl-1-(3-methylphenyl)-4-phenylpyrazol-5-yl]-N-(4-methylphenyl)pentanediamide.

Molecular Properties

Compound NameN'-[3-methyl-1-(3-methylphenyl)-4-phenylpyrazol-5-yl]-N-(4-methylphenyl)pentanediamide
PubChem CID4311371
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC NameN'-[3-methyl-1-(3-methylphenyl)-4-phenylpyrazol-5-yl]-N-(4-methylphenyl)pentanediamide
SMILESCc1ccc(NC(=O)CCCC(=O)Nc2c(-c3ccccc3)c(C)nn2-c2cccc(C)c2)cc1
InChIInChI=1S/C29H30N4O2/c1-20-15-17-24(18-16-20)30-26(34)13-8-14-27(35)31-29-28(23-10-5-4-6-11-23)22(3)32-33(29)25-12-7-9-21(2)19-25/h4-7,9-12,15-19H,8,13-14H2,1-3H3,(H,30,34)(H,31,35)
InChIKeyRLMYZIKQYRRBNL-UHFFFAOYSA-N
XLogP6.21
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[3-methyl-1-(3-methylphenyl)-4-phenylpyrazol-5-yl]-N-(4-methylphenyl)pentanediamide?
The IUPAC name of N'-[3-methyl-1-(3-methylphenyl)-4-phenylpyrazol-5-yl]-N-(4-methylphenyl)pentanediamide (CID 4311371) is N'-[3-methyl-1-(3-methylphenyl)-4-phenylpyrazol-5-yl]-N-(4-methylphenyl)pentanediamide.
What is the SMILES notation for N'-[3-methyl-1-(3-methylphenyl)-4-phenylpyrazol-5-yl]-N-(4-methylphenyl)pentanediamide?
The canonical SMILES for N'-[3-methyl-1-(3-methylphenyl)-4-phenylpyrazol-5-yl]-N-(4-methylphenyl)pentanediamide is Cc1ccc(NC(=O)CCCC(=O)Nc2c(-c3ccccc3)c(C)nn2-c2cccc(C)c2)cc1.
What is the InChIKey of N'-[3-methyl-1-(3-methylphenyl)-4-phenylpyrazol-5-yl]-N-(4-methylphenyl)pentanediamide?
The InChIKey is RLMYZIKQYRRBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O2/c1-20-15-17-24(18-16-20)30-26(34)13-8-14-27(35)31-29-28(23-10-5-4-6-11-23)22(3)32-33(29)25-12-7-9-21(2)19-25/h4-7,9-12,15-19H,8,13-14H2,1-3H3,(H,30,34)(H,31,35).
What are the key properties of N'-[3-methyl-1-(3-methylphenyl)-4-phenylpyrazol-5-yl]-N-(4-methylphenyl)pentanediamide?
N'-[3-methyl-1-(3-methylphenyl)-4-phenylpyrazol-5-yl]-N-(4-methylphenyl)pentanediamide has a molecular weight of 466.59 g/mol, XLogP of 6.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-methyl-1-(3-methylphenyl)-4-phenylpyrazol-5-yl]-N-(4-methylphenyl)pentanediamide is sourced from PubChem (CID 4311371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).