N-[3-fluoro-5-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]phenyl]-1-(2-methoxyethyl)pyrazole-3-carboxamide

C20H23FN6O4 — CID 166224452

IUPACN-[3-fluoro-5-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]phenyl]-1-(2-methoxyethyl)pyrazole-3-carboxamide
SMILESCOCCn1ccc(C(=O)Nc2cc(F)cc(NC(=O)c3ccn(CCOC)n3)c2)n1
InChIInChI=1S/C20H23FN6O4/c1-30-9-7-26-5-3-17(24-26)19(28)22-15-11-14(21)12-16(13-15)23-20(29)18-4-6-27(25-18)8-10-31-2/h3-6,11-13H,7-10H2,1-2H3,(H,22,28)(H,23,29)
InChIKeyKEYLADJEOGYYLO-UHFFFAOYSA-N
MW430.44 g/mol
LogP2.02
Rot. Bonds10

About N-[3-fluoro-5-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]phenyl]-1-(2-methoxyethyl)pyrazole-3-carboxamide

N-[3-fluoro-5-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]phenyl]-1-(2-methoxyethyl)pyrazole-3-carboxamide (PubChem CID 166224452) has the molecular formula C20H23FN6O4 and a molecular weight of 430.44 g/mol. Its IUPAC name is N-[3-fluoro-5-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]phenyl]-1-(2-methoxyethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-5-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]phenyl]-1-(2-methoxyethyl)pyrazole-3-carboxamide
PubChem CID166224452
Molecular FormulaC20H23FN6O4
Molecular Weight430.44 g/mol
Exact Mass430.18
IUPAC NameN-[3-fluoro-5-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]phenyl]-1-(2-methoxyethyl)pyrazole-3-carboxamide
SMILESCOCCn1ccc(C(=O)Nc2cc(F)cc(NC(=O)c3ccn(CCOC)n3)c2)n1
InChIInChI=1S/C20H23FN6O4/c1-30-9-7-26-5-3-17(24-26)19(28)22-15-11-14(21)12-16(13-15)23-20(29)18-4-6-27(25-18)8-10-31-2/h3-6,11-13H,7-10H2,1-2H3,(H,22,28)(H,23,29)
InChIKeyKEYLADJEOGYYLO-UHFFFAOYSA-N
XLogP2.02
TPSA112.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(3-fluorophenyl)pyrazole-3-carboxamide
CID 29098002
N-[1-(2-methoxyethyl)pyrazol-3-yl]acetamide
CID 118519251
N-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 36676962
5-(3,5-difluoroanilino)-N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 69350584
1-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrazole-3-carboxamide
CID 131908281
3-[3-[(2,6-dibromo-4-fluorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506479
N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide
CID 6470772
2-[3-[(3,5-dimethylphenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500034
3-[3-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506486
1-(methoxymethyl)-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19270816
N-(3,5-dimethylphenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4774451
3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506568

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-5-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]phenyl]-1-(2-methoxyethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[3-fluoro-5-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]phenyl]-1-(2-methoxyethyl)pyrazole-3-carboxamide (CID 166224452) is N-[3-fluoro-5-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]phenyl]-1-(2-methoxyethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-5-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]phenyl]-1-(2-methoxyethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[3-fluoro-5-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]phenyl]-1-(2-methoxyethyl)pyrazole-3-carboxamide is COCCn1ccc(C(=O)Nc2cc(F)cc(NC(=O)c3ccn(CCOC)n3)c2)n1.
What is the InChIKey of N-[3-fluoro-5-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]phenyl]-1-(2-methoxyethyl)pyrazole-3-carboxamide?
The InChIKey is KEYLADJEOGYYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O4/c1-30-9-7-26-5-3-17(24-26)19(28)22-15-11-14(21)12-16(13-15)23-20(29)18-4-6-27(25-18)8-10-31-2/h3-6,11-13H,7-10H2,1-2H3,(H,22,28)(H,23,29).
What are the key properties of N-[3-fluoro-5-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]phenyl]-1-(2-methoxyethyl)pyrazole-3-carboxamide?
N-[3-fluoro-5-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]phenyl]-1-(2-methoxyethyl)pyrazole-3-carboxamide has a molecular weight of 430.44 g/mol, XLogP of 2.02, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-5-[[1-(2-methoxyethyl)pyrazole-3-carbonyl]amino]phenyl]-1-(2-methoxyethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 166224452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).