ethyl 1-methyl-5-(pyrazin-2-ylcarbamoylamino)pyrazole-4-carboxylate

C12H14N6O3 — CID 110492422

IUPACethyl 1-methyl-5-(pyrazin-2-ylcarbamoylamino)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)Nc1cnccn1
InChIInChI=1S/C12H14N6O3/c1-3-21-11(19)8-6-15-18(2)10(8)17-12(20)16-9-7-13-4-5-14-9/h4-7H,3H2,1-2H3,(H2,14,16,17,20)
InChIKeyJWFOSYZQBGGAFL-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.03
Rot. Bonds4

About ethyl 1-methyl-5-(pyrazin-2-ylcarbamoylamino)pyrazole-4-carboxylate

ethyl 1-methyl-5-(pyrazin-2-ylcarbamoylamino)pyrazole-4-carboxylate (PubChem CID 110492422) has the molecular formula C12H14N6O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is ethyl 1-methyl-5-(pyrazin-2-ylcarbamoylamino)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-5-(pyrazin-2-ylcarbamoylamino)pyrazole-4-carboxylate
PubChem CID110492422
Molecular FormulaC12H14N6O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Nameethyl 1-methyl-5-(pyrazin-2-ylcarbamoylamino)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)Nc1cnccn1
InChIInChI=1S/C12H14N6O3/c1-3-21-11(19)8-6-15-18(2)10(8)17-12(20)16-9-7-13-4-5-14-9/h4-7H,3H2,1-2H3,(H2,14,16,17,20)
InChIKeyJWFOSYZQBGGAFL-UHFFFAOYSA-N
XLogP1.03
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(4-ethoxycarbonyl-1-methylpyrazol-5-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 2811391
ethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate
CID 110460718
ethyl 5-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19475977
ethyl 5-[(2-cyanoacetyl)amino]-1-methylpyrazole-4-carboxylate
CID 110459593
ethyl 5-(3-methoxypropanoylamino)-1-methylpyrazole-4-carboxylate
CID 110480553
ethyl 5-(3,3-diphenylpropanoylamino)-1-methylpyrazole-4-carboxylate
CID 108738872
ethyl 5-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19474982
ethyl 5-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 19477093
ethyl 4-[(4-ethoxycarbonyl-1-methylpyrazol-5-yl)amino]-2-methylpyrimidine-5-carboxylate
CID 108775876
ethyl 5-[(2-iodobenzoyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761486
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

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-5-(pyrazin-2-ylcarbamoylamino)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-5-(pyrazin-2-ylcarbamoylamino)pyrazole-4-carboxylate (CID 110492422) is ethyl 1-methyl-5-(pyrazin-2-ylcarbamoylamino)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-5-(pyrazin-2-ylcarbamoylamino)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-5-(pyrazin-2-ylcarbamoylamino)pyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1NC(=O)Nc1cnccn1.
What is the InChIKey of ethyl 1-methyl-5-(pyrazin-2-ylcarbamoylamino)pyrazole-4-carboxylate?
The InChIKey is JWFOSYZQBGGAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O3/c1-3-21-11(19)8-6-15-18(2)10(8)17-12(20)16-9-7-13-4-5-14-9/h4-7H,3H2,1-2H3,(H2,14,16,17,20).
What are the key properties of ethyl 1-methyl-5-(pyrazin-2-ylcarbamoylamino)pyrazole-4-carboxylate?
ethyl 1-methyl-5-(pyrazin-2-ylcarbamoylamino)pyrazole-4-carboxylate has a molecular weight of 290.28 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-5-(pyrazin-2-ylcarbamoylamino)pyrazole-4-carboxylate is sourced from PubChem (CID 110492422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).