ethyl 5-amino-1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate

C19H25N5O3 — CID 46363328

IUPACethyl 5-amino-1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(C(=O)N3CCN(CC)CC3)cc2)c1N
InChIInChI=1S/C19H25N5O3/c1-3-22-9-11-23(12-10-22)18(25)14-5-7-15(8-6-14)24-17(20)16(13-21-24)19(26)27-4-2/h5-8,13H,3-4,9-12,20H2,1-2H3
InChIKeyXGZBKCZIIDWUPS-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.41
Rot. Bonds5

About ethyl 5-amino-1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate

ethyl 5-amino-1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate (PubChem CID 46363328) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is ethyl 5-amino-1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate
PubChem CID46363328
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Nameethyl 5-amino-1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(C(=O)N3CCN(CC)CC3)cc2)c1N
InChIInChI=1S/C19H25N5O3/c1-3-22-9-11-23(12-10-22)18(25)14-5-7-15(8-6-14)24-17(20)16(13-21-24)19(26)27-4-2/h5-8,13H,3-4,9-12,20H2,1-2H3
InChIKeyXGZBKCZIIDWUPS-UHFFFAOYSA-N
XLogP1.41
TPSA93.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-amino-1-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]pyrazole-4-carboxylate
CID 22585703
ethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate
CID 82365389
methyl 5-amino-1-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylate
CID 46363469
ethyl 5-methyl-1-[4-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl]pyrazole-4-carboxylate
CID 55650712
ethyl 1-[4-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 71684785
methyl 5-amino-1-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-carboxylate
CID 46363474
ethyl 5-amino-1-[4-(propylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46363367
ethyl 1-[4-(4-cyclopentylpiperazine-1-carbonyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 55651027
ethyl 5-amino-1-[4-[(4-ethoxycarbonylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363369
ethyl 5-amino-1-[4-[butyl(methyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363324
ethyl 5-amino-1-(3,5-difluorophenyl)pyrazole-4-carboxylate
CID 83808189
ethyl 5-amino-1-[4-(1-phenylethylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46363371

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate (CID 46363328) is ethyl 5-amino-1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(C(=O)N3CCN(CC)CC3)cc2)c1N.
What is the InChIKey of ethyl 5-amino-1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate?
The InChIKey is XGZBKCZIIDWUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-3-22-9-11-23(12-10-22)18(25)14-5-7-15(8-6-14)24-17(20)16(13-21-24)19(26)27-4-2/h5-8,13H,3-4,9-12,20H2,1-2H3.
What are the key properties of ethyl 5-amino-1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate?
ethyl 5-amino-1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate is sourced from PubChem (CID 46363328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).