N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-carboxamide

C21H19F3N6O3 — CID 122638612

IUPACN-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-carboxamide
SMILESCCOCCn1cc(NC(=O)c2ccc(-c3cn[nH]c3C(F)(F)F)o2)c(-c2ccccn2)n1
InChIInChI=1S/C21H19F3N6O3/c1-2-32-10-9-30-12-15(18(29-30)14-5-3-4-8-25-14)27-20(31)17-7-6-16(33-17)13-11-26-28-19(13)21(22,23)24/h3-8,11-12H,2,9-10H2,1H3,(H,26,28)(H,27,31)
InChIKeyXSNSEBRUKXSXNV-UHFFFAOYSA-N
MW460.42 g/mol
LogP4.24
Rot. Bonds8

About N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-carboxamide

N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-carboxamide (PubChem CID 122638612) has the molecular formula C21H19F3N6O3 and a molecular weight of 460.42 g/mol. Its IUPAC name is N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-carboxamide
PubChem CID122638612
Molecular FormulaC21H19F3N6O3
Molecular Weight460.42 g/mol
Exact Mass460.15
IUPAC NameN-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-carboxamide
SMILESCCOCCn1cc(NC(=O)c2ccc(-c3cn[nH]c3C(F)(F)F)o2)c(-c2ccccn2)n1
InChIInChI=1S/C21H19F3N6O3/c1-2-32-10-9-30-12-15(18(29-30)14-5-3-4-8-25-14)27-20(31)17-7-6-16(33-17)13-11-26-28-19(13)21(22,23)24/h3-8,11-12H,2,9-10H2,1H3,(H,26,28)(H,27,31)
InChIKeyXSNSEBRUKXSXNV-UHFFFAOYSA-N
XLogP4.24
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.42
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 118714278
N-(3-{N-[5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furoyl]ethanehydrazonoyl}phenyl)nicotinamide
CID 9663070
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-3-pyridinyl-2-furamide
CID 4192875
5-tert-butyl-N-[4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]phenyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 53464348
3-Tert-butyl-5-[6-(furan-2-yl)-3-pyridinyl]-4-(2-methoxy-3-pyridinyl)-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58365842
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5-(oxan-4-yl)-N-[2-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 129046490
5-m-Tolyl-oxazole-4-carboxylic acid [1-(5-acetyl-furan-2-ylmethyl)-1H-pyrazol-4-yl]-amide
CID 66928485
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CID 146220637
4-[[5-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 35534418
4-(furan-2-yl)-1-methyl-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyrrole-2-carboxamide
CID 44351036

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-carboxamide (CID 122638612) is N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-carboxamide is CCOCCn1cc(NC(=O)c2ccc(-c3cn[nH]c3C(F)(F)F)o2)c(-c2ccccn2)n1.
What is the InChIKey of N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-carboxamide?
The InChIKey is XSNSEBRUKXSXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6O3/c1-2-32-10-9-30-12-15(18(29-30)14-5-3-4-8-25-14)27-20(31)17-7-6-16(33-17)13-11-26-28-19(13)21(22,23)24/h3-8,11-12H,2,9-10H2,1H3,(H,26,28)(H,27,31).
What are the key properties of N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-carboxamide?
N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 460.42 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 122638612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).