N-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-1-[[2-(methylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide

C22H24F2N4O3 — CID 174867302

IUPACN-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-1-[[2-(methylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCNCc1ccccc1Cn1cc(C(=O)NCc2c(F)ccc(OC)c2F)c(OC)n1
InChIInChI=1S/C22H24F2N4O3/c1-25-10-14-6-4-5-7-15(14)12-28-13-17(22(27-28)31-3)21(29)26-11-16-18(23)8-9-19(30-2)20(16)24/h4-9,13,25H,10-12H2,1-3H3,(H,26,29)
InChIKeyJSLPQWMWVQIDPY-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.88
Rot. Bonds9

About N-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-1-[[2-(methylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide

N-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-1-[[2-(methylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 174867302) has the molecular formula C22H24F2N4O3 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-1-[[2-(methylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-1-[[2-(methylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID174867302
Molecular FormulaC22H24F2N4O3
Molecular Weight430.46 g/mol
Exact Mass430.18
IUPAC NameN-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-1-[[2-(methylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCNCc1ccccc1Cn1cc(C(=O)NCc2c(F)ccc(OC)c2F)c(OC)n1
InChIInChI=1S/C22H24F2N4O3/c1-25-10-14-6-4-5-7-15(14)12-28-13-17(22(27-28)31-3)21(29)26-11-16-18(23)8-9-19(30-2)20(16)24/h4-9,13,25H,10-12H2,1-3H3,(H,26,29)
InChIKeyJSLPQWMWVQIDPY-UHFFFAOYSA-N
XLogP2.88
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-(methylamino)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 121365110
N-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 121365144
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 104794788
2-(5-chloro-2-methoxyphenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 17412421
3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 29214008
N-[(2,6-difluorophenyl)methyl]-3-[(3-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 16925916
N-[(6-chloro-2-fluoro-3-methoxyphenyl)methyl]-3-(oxetan-3-yl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 167298734
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
1-benzyl-N-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)pyrazole-4-carboxamide
CID 27514913
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
N-[(2,6-difluoro-3-methoxyphenyl)methyl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide
CID 97126378
3-methoxy-N-[4-[(2-methoxyphenyl)methylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 121079815

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-1-[[2-(methylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-1-[[2-(methylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 174867302) is N-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-1-[[2-(methylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-1-[[2-(methylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-1-[[2-(methylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide is CNCc1ccccc1Cn1cc(C(=O)NCc2c(F)ccc(OC)c2F)c(OC)n1.
What is the InChIKey of N-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-1-[[2-(methylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is JSLPQWMWVQIDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O3/c1-25-10-14-6-4-5-7-15(14)12-28-13-17(22(27-28)31-3)21(29)26-11-16-18(23)8-9-19(30-2)20(16)24/h4-9,13,25H,10-12H2,1-3H3,(H,26,29).
What are the key properties of N-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-1-[[2-(methylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide?
N-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-1-[[2-(methylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluoro-3-methoxyphenyl)methyl]-3-methoxy-1-[[2-(methylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 174867302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).