2-[4-[(2-phenylpyrimidin-4-yl)amino]pyrazol-1-yl]acetamide

C15H14N6O — CID 146124735

IUPAC2-[4-[(2-phenylpyrimidin-4-yl)amino]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(Nc2ccnc(-c3ccccc3)n2)cn1
InChIInChI=1S/C15H14N6O/c16-13(22)10-21-9-12(8-18-21)19-14-6-7-17-15(20-14)11-4-2-1-3-5-11/h1-9H,10H2,(H2,16,22)(H,17,19,20)
InChIKeySRAYBTIYZUWLEW-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.57
Rot. Bonds5

About 2-[4-[(2-phenylpyrimidin-4-yl)amino]pyrazol-1-yl]acetamide

2-[4-[(2-phenylpyrimidin-4-yl)amino]pyrazol-1-yl]acetamide (PubChem CID 146124735) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is 2-[4-[(2-phenylpyrimidin-4-yl)amino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(2-phenylpyrimidin-4-yl)amino]pyrazol-1-yl]acetamide
PubChem CID146124735
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name2-[4-[(2-phenylpyrimidin-4-yl)amino]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(Nc2ccnc(-c3ccccc3)n2)cn1
InChIInChI=1S/C15H14N6O/c16-13(22)10-21-9-12(8-18-21)19-14-6-7-17-15(20-14)11-4-2-1-3-5-11/h1-9H,10H2,(H2,16,22)(H,17,19,20)
InChIKeySRAYBTIYZUWLEW-UHFFFAOYSA-N
XLogP1.57
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-phenylpyrimidin-4-yl)amino]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[(2-phenylpyrimidin-4-yl)amino]pyrazol-1-yl]acetamide (CID 146124735) is 2-[4-[(2-phenylpyrimidin-4-yl)amino]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(2-phenylpyrimidin-4-yl)amino]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[(2-phenylpyrimidin-4-yl)amino]pyrazol-1-yl]acetamide is NC(=O)Cn1cc(Nc2ccnc(-c3ccccc3)n2)cn1.
What is the InChIKey of 2-[4-[(2-phenylpyrimidin-4-yl)amino]pyrazol-1-yl]acetamide?
The InChIKey is SRAYBTIYZUWLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O/c16-13(22)10-21-9-12(8-18-21)19-14-6-7-17-15(20-14)11-4-2-1-3-5-11/h1-9H,10H2,(H2,16,22)(H,17,19,20).
What are the key properties of 2-[4-[(2-phenylpyrimidin-4-yl)amino]pyrazol-1-yl]acetamide?
2-[4-[(2-phenylpyrimidin-4-yl)amino]pyrazol-1-yl]acetamide has a molecular weight of 294.32 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-phenylpyrimidin-4-yl)amino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 146124735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).