2-(1-phenylpyrazol-4-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide

C17H18N6O — CID 47036694

IUPAC2-(1-phenylpyrazol-4-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)NCCNc1ncccn1
InChIInChI=1S/C17H18N6O/c24-16(18-9-10-21-17-19-7-4-8-20-17)11-14-12-22-23(13-14)15-5-2-1-3-6-15/h1-8,12-13H,9-11H2,(H,18,24)(H,19,20,21)
InChIKeyYBJQIHACPASORC-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.43
Rot. Bonds7

About 2-(1-phenylpyrazol-4-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide

2-(1-phenylpyrazol-4-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide (PubChem CID 47036694) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(1-phenylpyrazol-4-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-phenylpyrazol-4-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
PubChem CID47036694
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name2-(1-phenylpyrazol-4-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
SMILESO=C(Cc1cnn(-c2ccccc2)c1)NCCNc1ncccn1
InChIInChI=1S/C17H18N6O/c24-16(18-9-10-21-17-19-7-4-8-20-17)11-14-12-22-23(13-14)15-5-2-1-3-6-15/h1-8,12-13H,9-11H2,(H,18,24)(H,19,20,21)
InChIKeyYBJQIHACPASORC-UHFFFAOYSA-N
XLogP1.43
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 55809589
2-(1-phenylpyrazol-4-yl)-N-propylacetamide
CID 18146665
2-[2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]ethylsulfanyl]acetic acid
CID 119242498
N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 47141475
methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate
CID 47141661
2-(2-methylphenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000703
2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
CID 18152814
2-oxo-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 16787671
N'-acetyl-2-(1-phenylpyrazol-4-yl)acetohydrazide
CID 30905613
N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 134000509
2-(1-phenylpyrazol-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 39166946
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 55934209

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpyrazol-4-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide?
The IUPAC name of 2-(1-phenylpyrazol-4-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide (CID 47036694) is 2-(1-phenylpyrazol-4-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide.
What is the SMILES notation for 2-(1-phenylpyrazol-4-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide?
The canonical SMILES for 2-(1-phenylpyrazol-4-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide is O=C(Cc1cnn(-c2ccccc2)c1)NCCNc1ncccn1.
What is the InChIKey of 2-(1-phenylpyrazol-4-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide?
The InChIKey is YBJQIHACPASORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c24-16(18-9-10-21-17-19-7-4-8-20-17)11-14-12-22-23(13-14)15-5-2-1-3-6-15/h1-8,12-13H,9-11H2,(H,18,24)(H,19,20,21).
What are the key properties of 2-(1-phenylpyrazol-4-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide?
2-(1-phenylpyrazol-4-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide has a molecular weight of 322.37 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpyrazol-4-yl)-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 47036694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).