ethyl 5-(3-methoxypropanoylamino)-1-methylpyrazole-4-carboxylate

C11H17N3O4 — CID 110480553

IUPACethyl 5-(3-methoxypropanoylamino)-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)CCOC
InChIInChI=1S/C11H17N3O4/c1-4-18-11(16)8-7-12-14(2)10(8)13-9(15)5-6-17-3/h7H,4-6H2,1-3H3,(H,13,15)
InChIKeyNGEXLDQRVSVOIO-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.57
Rot. Bonds6

About ethyl 5-(3-methoxypropanoylamino)-1-methylpyrazole-4-carboxylate

ethyl 5-(3-methoxypropanoylamino)-1-methylpyrazole-4-carboxylate (PubChem CID 110480553) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is ethyl 5-(3-methoxypropanoylamino)-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-methoxypropanoylamino)-1-methylpyrazole-4-carboxylate
PubChem CID110480553
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Nameethyl 5-(3-methoxypropanoylamino)-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)CCOC
InChIInChI=1S/C11H17N3O4/c1-4-18-11(16)8-7-12-14(2)10(8)13-9(15)5-6-17-3/h7H,4-6H2,1-3H3,(H,13,15)
InChIKeyNGEXLDQRVSVOIO-UHFFFAOYSA-N
XLogP0.57
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[(2-cyanoacetyl)amino]-1-methylpyrazole-4-carboxylate
CID 110459593
ethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate
CID 110460718
ethyl 5-[(2-benzamidoacetyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761488
ethyl 5-(3,3-diphenylpropanoylamino)-1-methylpyrazole-4-carboxylate
CID 108738872
ethyl 5-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19475977
ethyl 5-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19474982
ethyl 5-[(2-iodobenzoyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761486
3-[(4-ethoxycarbonyl-1-methylpyrazol-5-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 2811391
ethyl 5-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19477093
ethyl 5-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19266324
ethyl 5-[(3,4-dichlorobenzoyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761476
ethyl 5-[(2-amino-4-methoxybenzoyl)amino]-1-methylpyrazole-4-carboxylate
CID 110451725

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-methoxypropanoylamino)-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(3-methoxypropanoylamino)-1-methylpyrazole-4-carboxylate (CID 110480553) is ethyl 5-(3-methoxypropanoylamino)-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(3-methoxypropanoylamino)-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(3-methoxypropanoylamino)-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1NC(=O)CCOC.
What is the InChIKey of ethyl 5-(3-methoxypropanoylamino)-1-methylpyrazole-4-carboxylate?
The InChIKey is NGEXLDQRVSVOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-4-18-11(16)8-7-12-14(2)10(8)13-9(15)5-6-17-3/h7H,4-6H2,1-3H3,(H,13,15).
What are the key properties of ethyl 5-(3-methoxypropanoylamino)-1-methylpyrazole-4-carboxylate?
ethyl 5-(3-methoxypropanoylamino)-1-methylpyrazole-4-carboxylate has a molecular weight of 255.27 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-methoxypropanoylamino)-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 110480553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).