ethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate

C17H21FN4O4 — CID 25211122

IUPACethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CC(O)CC)c1NC(=O)Nc1ccccc1F
InChIInChI=1S/C17H21FN4O4/c1-3-11(23)10-22-15(12(9-19-22)16(24)26-4-2)21-17(25)20-14-8-6-5-7-13(14)18/h5-9,11,23H,3-4,10H2,1-2H3,(H2,20,21,25)
InChIKeyKUKYHHAKWBMRNG-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.61
Rot. Bonds7

About ethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate

ethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate (PubChem CID 25211122) has the molecular formula C17H21FN4O4 and a molecular weight of 364.38 g/mol. Its IUPAC name is ethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate
PubChem CID25211122
Molecular FormulaC17H21FN4O4
Molecular Weight364.38 g/mol
Exact Mass364.15
IUPAC Nameethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CC(O)CC)c1NC(=O)Nc1ccccc1F
InChIInChI=1S/C17H21FN4O4/c1-3-11(23)10-22-15(12(9-19-22)16(24)26-4-2)21-17(25)20-14-8-6-5-7-13(14)18/h5-9,11,23H,3-4,10H2,1-2H3,(H2,20,21,25)
InChIKeyKUKYHHAKWBMRNG-UHFFFAOYSA-N
XLogP2.61
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(2-hydroxy-2-phenylethyl)-5-[(2-methoxyphenyl)carbamoylamino]pyrazole-4-carboxylate
CID 16749454
ethyl 5-[(4-fluorobenzoyl)amino]-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate
CID 164510641
ethyl 5-(2-ethoxyethylcarbamoylamino)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate
CID 16749230
ethyl 5-[(3-fluorobenzoyl)amino]-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate
CID 164510725
ethyl 5-[(4-benzylpiperazin-1-yl)carbamoylamino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate
CID 68899241
1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
CID 727758
diethyl 1-[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl]triazole-4,5-dicarboxylate
CID 15988255
ethyl 2-[[2-(2-fluoroanilino)acetyl]amino]benzoate
CID 18929196
ethyl 2-[[1-[(2-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108982356
ethyl 5-(difluoromethyl)-1-(2-methylpropyl)pyrazole-4-carboxylate
CID 55175786
ethyl 2-[[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112877855
2-amino-N-(2-fluorophenyl)-3-methylpentanamide
CID 24698442

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate (CID 25211122) is ethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(CC(O)CC)c1NC(=O)Nc1ccccc1F.
What is the InChIKey of ethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate?
The InChIKey is KUKYHHAKWBMRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O4/c1-3-11(23)10-22-15(12(9-19-22)16(24)26-4-2)21-17(25)20-14-8-6-5-7-13(14)18/h5-9,11,23H,3-4,10H2,1-2H3,(H2,20,21,25).
What are the key properties of ethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate?
ethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate has a molecular weight of 364.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate is sourced from PubChem (CID 25211122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).