2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide

C15H17N7O2 — CID 137278938

IUPAC2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide
SMILESCC(C)c1c(-c2cnn(CC(N)=O)c2)nc(-n2ccnc2)[nH]c1=O
InChIInChI=1S/C15H17N7O2/c1-9(2)12-13(10-5-18-22(6-10)7-11(16)23)19-15(20-14(12)24)21-4-3-17-8-21/h3-6,8-9H,7H2,1-2H3,(H2,16,23)(H,19,20,24)
InChIKeyAIQYRUNZVSVFKU-UHFFFAOYSA-N
MW327.35 g/mol
LogP0.43
Rot. Bonds5

About 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide

2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide (PubChem CID 137278938) has the molecular formula C15H17N7O2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide
PubChem CID137278938
Molecular FormulaC15H17N7O2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide
SMILESCC(C)c1c(-c2cnn(CC(N)=O)c2)nc(-n2ccnc2)[nH]c1=O
InChIInChI=1S/C15H17N7O2/c1-9(2)12-13(10-5-18-22(6-10)7-11(16)23)19-15(20-14(12)24)21-4-3-17-8-21/h3-6,8-9H,7H2,1-2H3,(H2,16,23)(H,19,20,24)
InChIKeyAIQYRUNZVSVFKU-UHFFFAOYSA-N
XLogP0.43
TPSA124.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide (CID 137278938) is 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide is CC(C)c1c(-c2cnn(CC(N)=O)c2)nc(-n2ccnc2)[nH]c1=O.
What is the InChIKey of 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide?
The InChIKey is AIQYRUNZVSVFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2/c1-9(2)12-13(10-5-18-22(6-10)7-11(16)23)19-15(20-14(12)24)21-4-3-17-8-21/h3-6,8-9H,7H2,1-2H3,(H2,16,23)(H,19,20,24).
What are the key properties of 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide?
2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide has a molecular weight of 327.35 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-imidazol-1-yl-6-oxo-5-propan-2-yl-1H-pyrimidin-4-yl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 137278938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).