ethyl 5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate

C18H21N3O4 — CID 110439670

IUPACethyl 5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)C1(c2ccccc2OC)CC1
InChIInChI=1S/C18H21N3O4/c1-4-25-16(22)12-11-19-21(2)15(12)20-17(23)18(9-10-18)13-7-5-6-8-14(13)24-3/h5-8,11H,4,9-10H2,1-3H3,(H,20,23)
InChIKeyMFDKIEPKJFFELM-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.28
Rot. Bonds6

About ethyl 5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate

ethyl 5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate (PubChem CID 110439670) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is ethyl 5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate
PubChem CID110439670
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Nameethyl 5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)C1(c2ccccc2OC)CC1
InChIInChI=1S/C18H21N3O4/c1-4-25-16(22)12-11-19-21(2)15(12)20-17(23)18(9-10-18)13-7-5-6-8-14(13)24-3/h5-8,11H,4,9-10H2,1-3H3,(H,20,23)
InChIKeyMFDKIEPKJFFELM-UHFFFAOYSA-N
XLogP2.28
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 110439644
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CID 108738872
ethyl 5-[(2-benzamidoacetyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761488
ethyl 5-(3-methoxypropanoylamino)-1-methylpyrazole-4-carboxylate
CID 110480553
ethyl 5-[(2-iodobenzoyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761486
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 122355966
ethyl 5-[[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]-1-methylpyrazole-4-carboxylate
CID 56540961
ethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate
CID 110460718
ethyl 5-[(2-cyanoacetyl)amino]-1-methylpyrazole-4-carboxylate
CID 110459593
ethyl 1-methyl-5-[[2-(N-methyl-2-phenoxyanilino)acetyl]amino]pyrazole-4-carboxylate
CID 56578955
ethyl 5-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761505
ethyl 5-[2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanoylamino]-1-methylpyrazole-4-carboxylate
CID 46301544

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate (CID 110439670) is ethyl 5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1NC(=O)C1(c2ccccc2OC)CC1.
What is the InChIKey of ethyl 5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate?
The InChIKey is MFDKIEPKJFFELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-4-25-16(22)12-11-19-21(2)15(12)20-17(23)18(9-10-18)13-7-5-6-8-14(13)24-3/h5-8,11H,4,9-10H2,1-3H3,(H,20,23).
What are the key properties of ethyl 5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate?
ethyl 5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate has a molecular weight of 343.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 110439670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).