N-(1-benzyl-3-phenylpyrazol-5-yl)-2-[(2-chlorophenyl)carbamoylamino]-2-methylpropanamide

C27H26ClN5O2 — CID 44612210

IUPACN-(1-benzyl-3-phenylpyrazol-5-yl)-2-[(2-chlorophenyl)carbamoylamino]-2-methylpropanamide
SMILESCC(C)(NC(=O)Nc1ccccc1Cl)C(=O)Nc1cc(-c2ccccc2)nn1Cc1ccccc1
InChIInChI=1S/C27H26ClN5O2/c1-27(2,31-26(35)29-22-16-10-9-15-21(22)28)25(34)30-24-17-23(20-13-7-4-8-14-20)32-33(24)18-19-11-5-3-6-12-19/h3-17H,18H2,1-2H3,(H,30,34)(H2,29,31,35)
InChIKeyNOFZEAIUDUDLDY-UHFFFAOYSA-N
MW487.99 g/mol
LogP5.79
Rot. Bonds7

About N-(1-benzyl-3-phenylpyrazol-5-yl)-2-[(2-chlorophenyl)carbamoylamino]-2-methylpropanamide

N-(1-benzyl-3-phenylpyrazol-5-yl)-2-[(2-chlorophenyl)carbamoylamino]-2-methylpropanamide (PubChem CID 44612210) has the molecular formula C27H26ClN5O2 and a molecular weight of 487.99 g/mol. Its IUPAC name is N-(1-benzyl-3-phenylpyrazol-5-yl)-2-[(2-chlorophenyl)carbamoylamino]-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-benzyl-3-phenylpyrazol-5-yl)-2-[(2-chlorophenyl)carbamoylamino]-2-methylpropanamide
PubChem CID44612210
Molecular FormulaC27H26ClN5O2
Molecular Weight487.99 g/mol
Exact Mass487.18
IUPAC NameN-(1-benzyl-3-phenylpyrazol-5-yl)-2-[(2-chlorophenyl)carbamoylamino]-2-methylpropanamide
SMILESCC(C)(NC(=O)Nc1ccccc1Cl)C(=O)Nc1cc(-c2ccccc2)nn1Cc1ccccc1
InChIInChI=1S/C27H26ClN5O2/c1-27(2,31-26(35)29-22-16-10-9-15-21(22)28)25(34)30-24-17-23(20-13-7-4-8-14-20)32-33(24)18-19-11-5-3-6-12-19/h3-17H,18H2,1-2H3,(H,30,34)(H2,29,31,35)
InChIKeyNOFZEAIUDUDLDY-UHFFFAOYSA-N
XLogP5.79
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.99
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3-phenylpyrazol-5-yl)-2-[(2-chlorophenyl)carbamoylamino]-2-methylpropanamide?
The IUPAC name of N-(1-benzyl-3-phenylpyrazol-5-yl)-2-[(2-chlorophenyl)carbamoylamino]-2-methylpropanamide (CID 44612210) is N-(1-benzyl-3-phenylpyrazol-5-yl)-2-[(2-chlorophenyl)carbamoylamino]-2-methylpropanamide.
What is the SMILES notation for N-(1-benzyl-3-phenylpyrazol-5-yl)-2-[(2-chlorophenyl)carbamoylamino]-2-methylpropanamide?
The canonical SMILES for N-(1-benzyl-3-phenylpyrazol-5-yl)-2-[(2-chlorophenyl)carbamoylamino]-2-methylpropanamide is CC(C)(NC(=O)Nc1ccccc1Cl)C(=O)Nc1cc(-c2ccccc2)nn1Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-3-phenylpyrazol-5-yl)-2-[(2-chlorophenyl)carbamoylamino]-2-methylpropanamide?
The InChIKey is NOFZEAIUDUDLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN5O2/c1-27(2,31-26(35)29-22-16-10-9-15-21(22)28)25(34)30-24-17-23(20-13-7-4-8-14-20)32-33(24)18-19-11-5-3-6-12-19/h3-17H,18H2,1-2H3,(H,30,34)(H2,29,31,35).
What are the key properties of N-(1-benzyl-3-phenylpyrazol-5-yl)-2-[(2-chlorophenyl)carbamoylamino]-2-methylpropanamide?
N-(1-benzyl-3-phenylpyrazol-5-yl)-2-[(2-chlorophenyl)carbamoylamino]-2-methylpropanamide has a molecular weight of 487.99 g/mol, XLogP of 5.79, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3-phenylpyrazol-5-yl)-2-[(2-chlorophenyl)carbamoylamino]-2-methylpropanamide is sourced from PubChem (CID 44612210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).