3-ethyl-1-methyl-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]pyrazole-5-carboxamide

C13H17N5O2 — CID 135876443

IUPAC3-ethyl-1-methyl-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCCc2cc(=O)[nH]cn2)n(C)n1
InChIInChI=1S/C13H17N5O2/c1-3-9-6-11(18(2)17-9)13(20)14-5-4-10-7-12(19)16-8-15-10/h6-8H,3-5H2,1-2H3,(H,14,20)(H,15,16,19)
InChIKeySYSWSNHAGDHATN-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.04
Rot. Bonds5

About 3-ethyl-1-methyl-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]pyrazole-5-carboxamide

3-ethyl-1-methyl-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]pyrazole-5-carboxamide (PubChem CID 135876443) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]pyrazole-5-carboxamide
PubChem CID135876443
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name3-ethyl-1-methyl-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCCc2cc(=O)[nH]cn2)n(C)n1
InChIInChI=1S/C13H17N5O2/c1-3-9-6-11(18(2)17-9)13(20)14-5-4-10-7-12(19)16-8-15-10/h6-8H,3-5H2,1-2H3,(H,14,20)(H,15,16,19)
InChIKeySYSWSNHAGDHATN-UHFFFAOYSA-N
XLogP0.04
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120701
4-ethyl-1H-pyrimidin-6-one
CID 135407688
3-ethyl-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide
CID 66122312
N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66122287
N-(2-chloropropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114296603
2-(9-methylcarbazol-3-yl)-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]acetamide
CID 135891044
N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114308825
N-(3-bromo-4-methoxybutyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 106245148
3-ethyl-1-methyl-N-(2-piperidin-2-ylethyl)pyrazole-5-carboxamide
CID 66120526
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea
CID 66120179
N-(2,2-diethoxyethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 79547185

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 3-ethyl-1-methyl-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]pyrazole-5-carboxamide (CID 135876443) is 3-ethyl-1-methyl-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-1-methyl-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-ethyl-1-methyl-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]pyrazole-5-carboxamide is CCc1cc(C(=O)NCCc2cc(=O)[nH]cn2)n(C)n1.
What is the InChIKey of 3-ethyl-1-methyl-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]pyrazole-5-carboxamide?
The InChIKey is SYSWSNHAGDHATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-3-9-6-11(18(2)17-9)13(20)14-5-4-10-7-12(19)16-8-15-10/h6-8H,3-5H2,1-2H3,(H,14,20)(H,15,16,19).
What are the key properties of 3-ethyl-1-methyl-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]pyrazole-5-carboxamide?
3-ethyl-1-methyl-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]pyrazole-5-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 135876443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).