N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxyacetamide

C14H17N5O3 — CID 135891989

IUPACN-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(C2CC2)nn1-c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C14H17N5O3/c1-8-5-12(20)17-14(15-8)19-11(16-13(21)7-22-2)6-10(18-19)9-3-4-9/h5-6,9H,3-4,7H2,1-2H3,(H,16,21)(H,15,17,20)
InChIKeyDEBSJFLUTZMVRD-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.73
Rot. Bonds5

About N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxyacetamide

N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxyacetamide (PubChem CID 135891989) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxyacetamide
PubChem CID135891989
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC NameN-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(C2CC2)nn1-c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C14H17N5O3/c1-8-5-12(20)17-14(15-8)19-11(16-13(21)7-22-2)6-10(18-19)9-3-4-9/h5-6,9H,3-4,7H2,1-2H3,(H,16,21)(H,15,17,20)
InChIKeyDEBSJFLUTZMVRD-UHFFFAOYSA-N
XLogP0.73
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2,6-difluorobenzamide
CID 135892001
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methoxyacetamide
CID 134797788
N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 135892173
N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)propanamide
CID 135892127
N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 135892051
N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(4-ethoxyphenyl)acetamide
CID 135892114
N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methylphenoxy)acetamide
CID 135892174
2-cyclopentyl-N-[3-cyclopropyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide
CID 135892225
N-[3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-naphthalen-2-yloxyacetamide
CID 135892170
N-[3-cyclopropyl-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide
CID 135892119
2-cyclopentyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
CID 136604747
2-cyclopentyl-N-[3-cyclopropyl-1-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]acetamide
CID 135892207

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxyacetamide?
The IUPAC name of N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxyacetamide (CID 135891989) is N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxyacetamide?
The canonical SMILES for N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxyacetamide is COCC(=O)Nc1cc(C2CC2)nn1-c1nc(C)cc(=O)[nH]1.
What is the InChIKey of N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxyacetamide?
The InChIKey is DEBSJFLUTZMVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-8-5-12(20)17-14(15-8)19-11(16-13(21)7-22-2)6-10(18-19)9-3-4-9/h5-6,9H,3-4,7H2,1-2H3,(H,16,21)(H,15,17,20).
What are the key properties of N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxyacetamide?
N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxyacetamide has a molecular weight of 303.32 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-yl]-2-methoxyacetamide is sourced from PubChem (CID 135891989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).