methyl 7-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]heptanoate

C19H25N3O4 — CID 36624024

IUPACmethyl 7-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]heptanoate
SMILESCOC(=O)CCCCCCNC(=O)c1nn(-c2ccccc2)cc1OC
InChIInChI=1S/C19H25N3O4/c1-25-16-14-22(15-10-6-5-7-11-15)21-18(16)19(24)20-13-9-4-3-8-12-17(23)26-2/h5-7,10-11,14H,3-4,8-9,12-13H2,1-2H3,(H,20,24)
InChIKeyUAVUMXRQCOMYEJ-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.73
Rot. Bonds10

About methyl 7-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]heptanoate

methyl 7-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]heptanoate (PubChem CID 36624024) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is methyl 7-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]heptanoate.

Molecular Properties

Compound Namemethyl 7-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]heptanoate
PubChem CID36624024
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Namemethyl 7-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]heptanoate
SMILESCOC(=O)CCCCCCNC(=O)c1nn(-c2ccccc2)cc1OC
InChIInChI=1S/C19H25N3O4/c1-25-16-14-22(15-10-6-5-7-11-15)21-18(16)19(24)20-13-9-4-3-8-12-17(23)26-2/h5-7,10-11,14H,3-4,8-9,12-13H2,1-2H3,(H,20,24)
InChIKeyUAVUMXRQCOMYEJ-UHFFFAOYSA-N
XLogP2.73
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119234819
N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 27847993
N-(2-benzylsulfanylethyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 9490337
4-methoxy-N-[3-oxo-3-(pyridin-2-ylamino)propyl]-1-phenylpyrazole-3-carboxamide
CID 47034464
4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 120832216
4-methoxy-1-phenyl-N-[4-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 55892920
4-methoxy-1-phenyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]pyrazole-3-carboxamide
CID 33157859
4-methoxy-1-phenyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide
CID 24502018
N-(2,3-difluorophenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 51095266
4-methoxy-N-(6-methylheptan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 46515773
4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]-4-methylpentanoic acid
CID 119204212
4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 51862939

Frequently Asked Questions

What is the IUPAC name of methyl 7-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]heptanoate?
The IUPAC name of methyl 7-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]heptanoate (CID 36624024) is methyl 7-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]heptanoate.
What is the SMILES notation for methyl 7-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]heptanoate?
The canonical SMILES for methyl 7-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]heptanoate is COC(=O)CCCCCCNC(=O)c1nn(-c2ccccc2)cc1OC.
What is the InChIKey of methyl 7-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]heptanoate?
The InChIKey is UAVUMXRQCOMYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-25-16-14-22(15-10-6-5-7-11-15)21-18(16)19(24)20-13-9-4-3-8-12-17(23)26-2/h5-7,10-11,14H,3-4,8-9,12-13H2,1-2H3,(H,20,24).
What are the key properties of methyl 7-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]heptanoate?
methyl 7-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]heptanoate has a molecular weight of 359.43 g/mol, XLogP of 2.73, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]heptanoate is sourced from PubChem (CID 36624024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).