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

C17H18FN3O3 — CID 110439644

IUPACethyl 5-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H18FN3O3/c1-3-24-15(22)13-10-19-21(2)14(13)20-16(23)17(8-9-17)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,20,23)
InChIKeyDLASXNJAXGBDEH-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.41
Rot. Bonds5

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

ethyl 5-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate (PubChem CID 110439644) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is ethyl 5-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate
PubChem CID110439644
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Nameethyl 5-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H18FN3O3/c1-3-24-15(22)13-10-19-21(2)14(13)20-16(23)17(8-9-17)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,20,23)
InChIKeyDLASXNJAXGBDEH-UHFFFAOYSA-N
XLogP2.41
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 110439670
ethyl 5-(2,2-dimethylpropanoylamino)-1-methylpyrazole-4-carboxylate
CID 110460718
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
N-(2,5-dimethylpyrazol-3-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 47182216
ethyl 5-[(2-benzamidoacetyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761488
ethyl 5-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]-1-methylpyrazole-4-carboxylate
CID 17444705
ethyl 5-[(2-iodobenzoyl)amino]-1-methylpyrazole-4-carboxylate
CID 108761486
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-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]-2-propoxybenzoate
CID 100749097

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate (CID 110439644) is ethyl 5-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1NC(=O)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of ethyl 5-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate?
The InChIKey is DLASXNJAXGBDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-3-24-15(22)13-10-19-21(2)14(13)20-16(23)17(8-9-17)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,20,23).
What are the key properties of ethyl 5-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate?
ethyl 5-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate has a molecular weight of 331.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 110439644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).