N-[[1-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide

C22H19F2N5O2 — CID 71844097

IUPACN-[[1-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)NCc3cnn(-c4ccc(F)cc4F)c3)c(C)[nH]2)c1
InChIInChI=1S/C22H19F2N5O2/c1-13-20(28-21(27-13)15-4-3-5-17(8-15)31-2)22(30)25-10-14-11-26-29(12-14)19-7-6-16(23)9-18(19)24/h3-9,11-12H,10H2,1-2H3,(H,25,30)(H,27,28)
InChIKeyHTGYXUOVONDVBH-UHFFFAOYSA-N
MW423.42 g/mol
LogP3.79
Rot. Bonds6

About N-[[1-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide

N-[[1-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide (PubChem CID 71844097) has the molecular formula C22H19F2N5O2 and a molecular weight of 423.42 g/mol. Its IUPAC name is N-[[1-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
PubChem CID71844097
Molecular FormulaC22H19F2N5O2
Molecular Weight423.42 g/mol
Exact Mass423.15
IUPAC NameN-[[1-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)NCc3cnn(-c4ccc(F)cc4F)c3)c(C)[nH]2)c1
InChIInChI=1S/C22H19F2N5O2/c1-13-20(28-21(27-13)15-4-3-5-17(8-15)31-2)22(30)25-10-14-11-26-29(12-14)19-7-6-16(23)9-18(19)24/h3-9,11-12H,10H2,1-2H3,(H,25,30)(H,27,28)
InChIKeyHTGYXUOVONDVBH-UHFFFAOYSA-N
XLogP3.79
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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5-(2-fluorophenyl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-1H-pyrazole-4-carboxamide
CID 119060130
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2-[[5-(4-fluorophenyl)-2-(3-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
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3-methoxybutyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
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5-(3-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 70760642
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19411696
(4-methyl-1,3-thiazol-5-yl)methyl 2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
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2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide?
The IUPAC name of N-[[1-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide (CID 71844097) is N-[[1-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[[1-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[[1-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide is COc1cccc(-c2nc(C(=O)NCc3cnn(-c4ccc(F)cc4F)c3)c(C)[nH]2)c1.
What is the InChIKey of N-[[1-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide?
The InChIKey is HTGYXUOVONDVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O2/c1-13-20(28-21(27-13)15-4-3-5-17(8-15)31-2)22(30)25-10-14-11-26-29(12-14)19-7-6-16(23)9-18(19)24/h3-9,11-12H,10H2,1-2H3,(H,25,30)(H,27,28).
What are the key properties of N-[[1-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide?
N-[[1-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide has a molecular weight of 423.42 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-difluorophenyl)pyrazol-4-yl]methyl]-2-(3-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 71844097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).