2-[3-[(2-phenylphenyl)carbamoylamino]pyrazol-1-yl]acetamide

C18H17N5O2 — CID 86800644

IUPAC2-[3-[(2-phenylphenyl)carbamoylamino]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1ccc(NC(=O)Nc2ccccc2-c2ccccc2)n1
InChIInChI=1S/C18H17N5O2/c19-16(24)12-23-11-10-17(22-23)21-18(25)20-15-9-5-4-8-14(15)13-6-2-1-3-7-13/h1-11H,12H2,(H2,19,24)(H2,20,21,22,25)
InChIKeyDOWJTTZQIVALLH-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.68
Rot. Bonds5

About 2-[3-[(2-phenylphenyl)carbamoylamino]pyrazol-1-yl]acetamide

2-[3-[(2-phenylphenyl)carbamoylamino]pyrazol-1-yl]acetamide (PubChem CID 86800644) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-[3-[(2-phenylphenyl)carbamoylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[(2-phenylphenyl)carbamoylamino]pyrazol-1-yl]acetamide
PubChem CID86800644
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name2-[3-[(2-phenylphenyl)carbamoylamino]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1ccc(NC(=O)Nc2ccccc2-c2ccccc2)n1
InChIInChI=1S/C18H17N5O2/c19-16(24)12-23-11-10-17(22-23)21-18(25)20-15-9-5-4-8-14(15)13-6-2-1-3-7-13/h1-11H,12H2,(H2,19,24)(H2,20,21,22,25)
InChIKeyDOWJTTZQIVALLH-UHFFFAOYSA-N
XLogP2.68
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-phenylphenyl)carbamoylamino]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[3-[(2-phenylphenyl)carbamoylamino]pyrazol-1-yl]acetamide (CID 86800644) is 2-[3-[(2-phenylphenyl)carbamoylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[3-[(2-phenylphenyl)carbamoylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[3-[(2-phenylphenyl)carbamoylamino]pyrazol-1-yl]acetamide is NC(=O)Cn1ccc(NC(=O)Nc2ccccc2-c2ccccc2)n1.
What is the InChIKey of 2-[3-[(2-phenylphenyl)carbamoylamino]pyrazol-1-yl]acetamide?
The InChIKey is DOWJTTZQIVALLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c19-16(24)12-23-11-10-17(22-23)21-18(25)20-15-9-5-4-8-14(15)13-6-2-1-3-7-13/h1-11H,12H2,(H2,19,24)(H2,20,21,22,25).
What are the key properties of 2-[3-[(2-phenylphenyl)carbamoylamino]pyrazol-1-yl]acetamide?
2-[3-[(2-phenylphenyl)carbamoylamino]pyrazol-1-yl]acetamide has a molecular weight of 335.37 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-phenylphenyl)carbamoylamino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 86800644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).