2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid

C11H17N3O3 — CID 102810141

IUPAC2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCCc1nn(C)cc1C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-5-8-7(6-14(4)13-8)9(15)12-11(2,3)10(16)17/h6H,5H2,1-4H3,(H,12,15)(H,16,17)
InChIKeyARPCASYCCUAXRR-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.58
Rot. Bonds4

About 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid

2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 102810141) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid
PubChem CID102810141
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCCc1nn(C)cc1C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-5-8-7(6-14(4)13-8)9(15)12-11(2,3)10(16)17/h6H,5H2,1-4H3,(H,12,15)(H,16,17)
InChIKeyARPCASYCCUAXRR-UHFFFAOYSA-N
XLogP0.58
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 102810224
N-(1,3-dibromo-2-methylpropan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811344
N-(1-chloro-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811397
N-(3-cyanopentan-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810446
2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-2-methylpropanoic acid
CID 104669542
N-(2-chloroethyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810778
2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoic acid
CID 102810054
(2S)-3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833163
3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 103790736
3-ethyl-N-[2-(ethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 102810944
3-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-1-methylpyrazole-4-carboxamide
CID 102810885
N-tert-butyl-1,3-dimethylpyrazole-4-carboxamide
CID 42352825

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid (CID 102810141) is 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid is CCc1nn(C)cc1C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is ARPCASYCCUAXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-5-8-7(6-14(4)13-8)9(15)12-11(2,3)10(16)17/h6H,5H2,1-4H3,(H,12,15)(H,16,17).
What are the key properties of 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid?
2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 102810141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).