ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxybutyl)pyrazole-4-carboxylate

C18H24N4O4 — CID 25211116

IUPACethyl 5-(benzylcarbamoylamino)-1-(2-hydroxybutyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CC(O)CC)c1NC(=O)NCc1ccccc1
InChIInChI=1S/C18H24N4O4/c1-3-14(23)12-22-16(15(11-20-22)17(24)26-4-2)21-18(25)19-10-13-8-6-5-7-9-13/h5-9,11,14,23H,3-4,10,12H2,1-2H3,(H2,19,21,25)
InChIKeyDDJIEBZFVCZGAF-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.15
Rot. Bonds8

About ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxybutyl)pyrazole-4-carboxylate

ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxybutyl)pyrazole-4-carboxylate (PubChem CID 25211116) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxybutyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(benzylcarbamoylamino)-1-(2-hydroxybutyl)pyrazole-4-carboxylate
PubChem CID25211116
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Nameethyl 5-(benzylcarbamoylamino)-1-(2-hydroxybutyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CC(O)CC)c1NC(=O)NCc1ccccc1
InChIInChI=1S/C18H24N4O4/c1-3-14(23)12-22-16(15(11-20-22)17(24)26-4-2)21-18(25)19-10-13-8-6-5-7-9-13/h5-9,11,14,23H,3-4,10,12H2,1-2H3,(H2,19,21,25)
InChIKeyDDJIEBZFVCZGAF-UHFFFAOYSA-N
XLogP2.15
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxypropyl)pyrazole-4-carboxylate
CID 25211029
Ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxypentyl)pyrazole-4-carboxylate
CID 25211121
Ethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate
CID 25211122
Ethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate
CID 25211212
Ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate
CID 25211213
Ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate
CID 25211214
Ethyl 5-[(4-fluorophenyl)carbamoylamino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate
CID 25211215
Ethyl 1-(2-hydroxypropyl)-5-(naphthalen-1-ylcarbamoylamino)pyrazole-4-carboxylate
CID 44574563
Ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate
CID 25190987
Ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate
CID 44574417
Ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-(2-hydroxypentyl)pyrazole-4-carboxylate
CID 44574652
Ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 44574689

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxybutyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxybutyl)pyrazole-4-carboxylate (CID 25211116) is ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxybutyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxybutyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxybutyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(CC(O)CC)c1NC(=O)NCc1ccccc1.
What is the InChIKey of ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxybutyl)pyrazole-4-carboxylate?
The InChIKey is DDJIEBZFVCZGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-3-14(23)12-22-16(15(11-20-22)17(24)26-4-2)21-18(25)19-10-13-8-6-5-7-9-13/h5-9,11,14,23H,3-4,10,12H2,1-2H3,(H2,19,21,25).
What are the key properties of ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxybutyl)pyrazole-4-carboxylate?
ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxybutyl)pyrazole-4-carboxylate has a molecular weight of 360.41 g/mol, XLogP of 2.15, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxybutyl)pyrazole-4-carboxylate is sourced from PubChem (CID 25211116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).