3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)propanamide

C13H18N6O — CID 119320353

IUPAC3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)propanamide
SMILESCC(C)c1cc(NC(=O)CCN)n(-c2ncccn2)n1
InChIInChI=1S/C13H18N6O/c1-9(2)10-8-11(17-12(20)4-5-14)19(18-10)13-15-6-3-7-16-13/h3,6-9H,4-5,14H2,1-2H3,(H,17,20)
InChIKeyOSYPFGFTEPUYGW-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.07
Rot. Bonds5

About 3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)propanamide

3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)propanamide (PubChem CID 119320353) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)propanamide
PubChem CID119320353
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)propanamide
SMILESCC(C)c1cc(NC(=O)CCN)n(-c2ncccn2)n1
InChIInChI=1S/C13H18N6O/c1-9(2)10-8-11(17-12(20)4-5-14)19(18-10)13-15-6-3-7-16-13/h3,6-9H,4-5,14H2,1-2H3,(H,17,20)
InChIKeyOSYPFGFTEPUYGW-UHFFFAOYSA-N
XLogP1.07
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)propanamide?
The IUPAC name of 3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)propanamide (CID 119320353) is 3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)propanamide.
What is the SMILES notation for 3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)propanamide?
The canonical SMILES for 3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)propanamide is CC(C)c1cc(NC(=O)CCN)n(-c2ncccn2)n1.
What is the InChIKey of 3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)propanamide?
The InChIKey is OSYPFGFTEPUYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-9(2)10-8-11(17-12(20)4-5-14)19(18-10)13-15-6-3-7-16-13/h3,6-9H,4-5,14H2,1-2H3,(H,17,20).
What are the key properties of 3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)propanamide?
3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)propanamide has a molecular weight of 274.33 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-propan-2-yl-1-pyrimidin-2-ylpyrazol-5-yl)propanamide is sourced from PubChem (CID 119320353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).