methyl 5-amino-1-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-carboxylate

C16H18N4O4 — CID 46363474

IUPACmethyl 5-amino-1-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2ccc(C(=O)N3CCOCC3)cc2)c1N
InChIInChI=1S/C16H18N4O4/c1-23-16(22)13-10-18-20(14(13)17)12-4-2-11(3-5-12)15(21)19-6-8-24-9-7-19/h2-5,10H,6-9,17H2,1H3
InChIKeyXEMALLBJWMQQEV-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.71
Rot. Bonds3

About methyl 5-amino-1-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-carboxylate

methyl 5-amino-1-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-carboxylate (PubChem CID 46363474) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is methyl 5-amino-1-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-carboxylate
PubChem CID46363474
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Namemethyl 5-amino-1-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2ccc(C(=O)N3CCOCC3)cc2)c1N
InChIInChI=1S/C16H18N4O4/c1-23-16(22)13-10-18-20(14(13)17)12-4-2-11(3-5-12)15(21)19-6-8-24-9-7-19/h2-5,10H,6-9,17H2,1H3
InChIKeyXEMALLBJWMQQEV-UHFFFAOYSA-N
XLogP0.71
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-amino-1-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-amino-1-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylate
CID 46363469
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-(4-ethylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate
CID 46363328
methyl 5-amino-1-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrazole-4-carboxylate
CID 46363467
methyl 5-amino-1-[4-(3-methylbutylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46363518
[2-[5-amino-1-(4-phenoxyphenyl)pyrazole-4-carbonyl]-1H-indol-5-yl]-morpholin-4-ylmethanone
CID 118138393
methyl 5-amino-1-[4-[benzyl(ethyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363473
methyl 2-(carbamothioylamino)-4-(morpholine-4-carbonyl)benzoate
CID 169358231
ethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate
CID 82365389
N-[4-[4-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]piperidine-1-carbonyl]phenyl]acetamide
CID 92558546
methyl 5-amino-1-[4-(4-phenylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46363542
ethyl 5-amino-1-[4-[(2-methoxycarbonylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363359

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-carboxylate (CID 46363474) is methyl 5-amino-1-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-carboxylate is COC(=O)c1cnn(-c2ccc(C(=O)N3CCOCC3)cc2)c1N.
What is the InChIKey of methyl 5-amino-1-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-carboxylate?
The InChIKey is XEMALLBJWMQQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-23-16(22)13-10-18-20(14(13)17)12-4-2-11(3-5-12)15(21)19-6-8-24-9-7-19/h2-5,10H,6-9,17H2,1H3.
What are the key properties of methyl 5-amino-1-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-carboxylate?
methyl 5-amino-1-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-carboxylate has a molecular weight of 330.34 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-carboxylate is sourced from PubChem (CID 46363474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).