ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-methylpyrazole-4-carboxylate

C19H25N5O3 — CID 44574689

IUPACethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H25N5O3/c1-3-27-18(25)16-13-20-22(2)17(16)21-19(26)24-11-9-23(10-12-24)14-15-7-5-4-6-8-15/h4-8,13H,3,9-12,14H2,1-2H3,(H,21,26)
InChIKeyMYPMSYFRSLVRSF-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.95
Rot. Bonds5

About ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-methylpyrazole-4-carboxylate

ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-methylpyrazole-4-carboxylate (PubChem CID 44574689) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-methylpyrazole-4-carboxylate
PubChem CID44574689
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Nameethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H25N5O3/c1-3-27-18(25)16-13-20-22(2)17(16)21-19(26)24-11-9-23(10-12-24)14-15-7-5-4-6-8-15/h4-8,13H,3,9-12,14H2,1-2H3,(H,21,26)
InChIKeyMYPMSYFRSLVRSF-UHFFFAOYSA-N
XLogP1.95
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
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-hydroxybutyl)pyrazole-4-carboxylate
CID 25211116
Ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxypentyl)pyrazole-4-carboxylate
CID 25211121
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-(benzylcarbamoylamino)-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate
CID 16747855
ethyl 5-amino-1-(4-methylbenzyl)-1H-pyrazole-4-carboxylate
CID 937102
ethyl 5-amino-1-benzyl-1H-pyrazole-4-carboxylate
CID 785810
Ethyl 1-(2-hydroxy-2-phenylethyl)-5-[(4-methylpiperazine-1-carbonyl)amino]pyrazole-4-carboxylate
CID 16747857
Ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate
CID 16749341
Ethyl 1-(2-hydroxy-2-phenylethyl)-5-(morpholine-4-carbonylamino)pyrazole-4-carboxylate
CID 16749342

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-methylpyrazole-4-carboxylate (CID 44574689) is ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1NC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-methylpyrazole-4-carboxylate?
The InChIKey is MYPMSYFRSLVRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-3-27-18(25)16-13-20-22(2)17(16)21-19(26)24-11-9-23(10-12-24)14-15-7-5-4-6-8-15/h4-8,13H,3,9-12,14H2,1-2H3,(H,21,26).
What are the key properties of ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-methylpyrazole-4-carboxylate?
ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-methylpyrazole-4-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 44574689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).