4-[[2-[(2,4-difluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide

C19H16F2N4O3 — CID 4774859

IUPAC4-[[2-[(2,4-difluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide
SMILESCn1cc(NC(=O)c2ccccc2COc2ccc(F)cc2F)c(C(N)=O)n1
InChIInChI=1S/C19H16F2N4O3/c1-25-9-15(17(24-25)18(22)26)23-19(27)13-5-3-2-4-11(13)10-28-16-7-6-12(20)8-14(16)21/h2-9H,10H2,1H3,(H2,22,26)(H,23,27)
InChIKeyFNJJJJKQCCMTMZ-UHFFFAOYSA-N
MW386.36 g/mol
LogP2.63
Rot. Bonds6

About 4-[[2-[(2,4-difluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide

4-[[2-[(2,4-difluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide (PubChem CID 4774859) has the molecular formula C19H16F2N4O3 and a molecular weight of 386.36 g/mol. Its IUPAC name is 4-[[2-[(2,4-difluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[2-[(2,4-difluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide
PubChem CID4774859
Molecular FormulaC19H16F2N4O3
Molecular Weight386.36 g/mol
Exact Mass386.12
IUPAC Name4-[[2-[(2,4-difluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide
SMILESCn1cc(NC(=O)c2ccccc2COc2ccc(F)cc2F)c(C(N)=O)n1
InChIInChI=1S/C19H16F2N4O3/c1-25-9-15(17(24-25)18(22)26)23-19(27)13-5-3-2-4-11(13)10-28-16-7-6-12(20)8-14(16)21/h2-9H,10H2,1H3,(H2,22,26)(H,23,27)
InChIKeyFNJJJJKQCCMTMZ-UHFFFAOYSA-N
XLogP2.63
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2,4-difluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-[[2-[(2,4-difluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide (CID 4774859) is 4-[[2-[(2,4-difluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[2-[(2,4-difluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[2-[(2,4-difluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide is Cn1cc(NC(=O)c2ccccc2COc2ccc(F)cc2F)c(C(N)=O)n1.
What is the InChIKey of 4-[[2-[(2,4-difluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide?
The InChIKey is FNJJJJKQCCMTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O3/c1-25-9-15(17(24-25)18(22)26)23-19(27)13-5-3-2-4-11(13)10-28-16-7-6-12(20)8-14(16)21/h2-9H,10H2,1H3,(H2,22,26)(H,23,27).
What are the key properties of 4-[[2-[(2,4-difluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide?
4-[[2-[(2,4-difluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide has a molecular weight of 386.36 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2,4-difluorophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 4774859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).