methyl 5-amino-1-[4-(dimethylamino)benzoyl]pyrazole-4-carboxylate

C14H16N4O3 — CID 3449796

IUPACmethyl 5-amino-1-[4-(dimethylamino)benzoyl]pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(C(=O)c2ccc(N(C)C)cc2)c1N
InChIInChI=1S/C14H16N4O3/c1-17(2)10-6-4-9(5-7-10)13(19)18-12(15)11(8-16-18)14(20)21-3/h4-8H,15H2,1-3H3
InChIKeyAJJNPQSYHRKDFO-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.01
Rot. Bonds3

About methyl 5-amino-1-[4-(dimethylamino)benzoyl]pyrazole-4-carboxylate

methyl 5-amino-1-[4-(dimethylamino)benzoyl]pyrazole-4-carboxylate (PubChem CID 3449796) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is methyl 5-amino-1-[4-(dimethylamino)benzoyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-[4-(dimethylamino)benzoyl]pyrazole-4-carboxylate
PubChem CID3449796
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Namemethyl 5-amino-1-[4-(dimethylamino)benzoyl]pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(C(=O)c2ccc(N(C)C)cc2)c1N
InChIInChI=1S/C14H16N4O3/c1-17(2)10-6-4-9(5-7-10)13(19)18-12(15)11(8-16-18)14(20)21-3/h4-8H,15H2,1-3H3
InChIKeyAJJNPQSYHRKDFO-UHFFFAOYSA-N
XLogP1.01
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-amino-1-(4-fluorobenzoyl)pyrazole-4-carboxylate
CID 110472549
methyl 7-[4-(dimethylamino)benzoyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylate
CID 112535220
methyl 5-amino-1-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylate
CID 46363469
methyl 5-amino-1-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-carboxylate
CID 46363474
ethyl 5-amino-1-(3-fluorobenzoyl)pyrazole-4-carboxylate
CID 110472492
methyl 5-tert-butyl-1-[4-(dimethylamino)benzoyl]-5-hydroxy-4H-pyrazole-3-carboxylate
CID 4886693
(5-amino-3-pyridin-4-yl-1,2,4-triazol-1-yl)-[4-(dimethylamino)phenyl]methanone
CID 71463332
methyl 4-(4-methoxycarbonyl-N-methylanilino)benzoate
CID 11335546
methyl 5-amino-1-[4-(2,3-dihydroindole-1-carbonyl)phenyl]pyrazole-4-carboxylate
CID 46363467
2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate
CID 12811915
methyl 5-amino-1-(2-ethylphenyl)pyrazole-4-carboxylate
CID 82365421
methyl 5-amino-1-[4-[benzyl(ethyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363473

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-[4-(dimethylamino)benzoyl]pyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-[4-(dimethylamino)benzoyl]pyrazole-4-carboxylate (CID 3449796) is methyl 5-amino-1-[4-(dimethylamino)benzoyl]pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-[4-(dimethylamino)benzoyl]pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-[4-(dimethylamino)benzoyl]pyrazole-4-carboxylate is COC(=O)c1cnn(C(=O)c2ccc(N(C)C)cc2)c1N.
What is the InChIKey of methyl 5-amino-1-[4-(dimethylamino)benzoyl]pyrazole-4-carboxylate?
The InChIKey is AJJNPQSYHRKDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-17(2)10-6-4-9(5-7-10)13(19)18-12(15)11(8-16-18)14(20)21-3/h4-8H,15H2,1-3H3.
What are the key properties of methyl 5-amino-1-[4-(dimethylamino)benzoyl]pyrazole-4-carboxylate?
methyl 5-amino-1-[4-(dimethylamino)benzoyl]pyrazole-4-carboxylate has a molecular weight of 288.31 g/mol, XLogP of 1.01, 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-(dimethylamino)benzoyl]pyrazole-4-carboxylate is sourced from PubChem (CID 3449796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).