1,3-diethyl-N-(3-methyl-2-oxobutyl)pyrazole-5-carboxamide

C13H21N3O2 — CID 66121592

IUPAC1,3-diethyl-N-(3-methyl-2-oxobutyl)pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC(=O)C(C)C)n(CC)n1
InChIInChI=1S/C13H21N3O2/c1-5-10-7-11(16(6-2)15-10)13(18)14-8-12(17)9(3)4/h7,9H,5-6,8H2,1-4H3,(H,14,18)
InChIKeyWSYRPCZDCBMJIE-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.42
Rot. Bonds6

About 1,3-diethyl-N-(3-methyl-2-oxobutyl)pyrazole-5-carboxamide

1,3-diethyl-N-(3-methyl-2-oxobutyl)pyrazole-5-carboxamide (PubChem CID 66121592) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1,3-diethyl-N-(3-methyl-2-oxobutyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-diethyl-N-(3-methyl-2-oxobutyl)pyrazole-5-carboxamide
PubChem CID66121592
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1,3-diethyl-N-(3-methyl-2-oxobutyl)pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC(=O)C(C)C)n(CC)n1
InChIInChI=1S/C13H21N3O2/c1-5-10-7-11(16(6-2)15-10)13(18)14-8-12(17)9(3)4/h7,9H,5-6,8H2,1-4H3,(H,14,18)
InChIKeyWSYRPCZDCBMJIE-UHFFFAOYSA-N
XLogP1.42
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-diethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-5-carboxamide
CID 102914495
N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120033
ethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]acetate
CID 66120233
N-(2-amino-3-methylbutyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121415
N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121952
N-(4-amino-2-methylbutyl)-1,3-diethylpyrazole-5-carboxamide
CID 66122010
N-(4-bromobutan-2-yl)-1,3-diethylpyrazole-5-carboxamide
CID 83180018
methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate
CID 66120627
N-(1-amino-1-sulfanylidenepropan-2-yl)-1,3-diethylpyrazole-5-carboxamide
CID 66121975
1,3-diethyl-N-(2-hydroxy-4,4-dimethylpentyl)pyrazole-5-carboxamide
CID 107155249
1,3-diethyl-N-(1-hydroxy-4-methylpentan-3-yl)pyrazole-5-carboxamide
CID 106352951
N-(5-aminopentyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120386

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-N-(3-methyl-2-oxobutyl)pyrazole-5-carboxamide?
The IUPAC name of 1,3-diethyl-N-(3-methyl-2-oxobutyl)pyrazole-5-carboxamide (CID 66121592) is 1,3-diethyl-N-(3-methyl-2-oxobutyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1,3-diethyl-N-(3-methyl-2-oxobutyl)pyrazole-5-carboxamide?
The canonical SMILES for 1,3-diethyl-N-(3-methyl-2-oxobutyl)pyrazole-5-carboxamide is CCc1cc(C(=O)NCC(=O)C(C)C)n(CC)n1.
What is the InChIKey of 1,3-diethyl-N-(3-methyl-2-oxobutyl)pyrazole-5-carboxamide?
The InChIKey is WSYRPCZDCBMJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-5-10-7-11(16(6-2)15-10)13(18)14-8-12(17)9(3)4/h7,9H,5-6,8H2,1-4H3,(H,14,18).
What are the key properties of 1,3-diethyl-N-(3-methyl-2-oxobutyl)pyrazole-5-carboxamide?
1,3-diethyl-N-(3-methyl-2-oxobutyl)pyrazole-5-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-N-(3-methyl-2-oxobutyl)pyrazole-5-carboxamide is sourced from PubChem (CID 66121592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).