N-(1-benzylpyrazol-3-yl)-2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]acetamide

C20H17FN6O — CID 46994094

IUPACN-(1-benzylpyrazol-3-yl)-2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(-c2ccc(F)cn2)cn1)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C20H17FN6O/c21-17-6-7-18(22-11-17)16-10-23-27(13-16)14-20(28)24-19-8-9-26(25-19)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H,24,25,28)
InChIKeyWLCAFKCPMWTKES-UHFFFAOYSA-N
MW376.40 g/mol
LogP2.97
Rot. Bonds6

About N-(1-benzylpyrazol-3-yl)-2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]acetamide

N-(1-benzylpyrazol-3-yl)-2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]acetamide (PubChem CID 46994094) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is N-(1-benzylpyrazol-3-yl)-2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-3-yl)-2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]acetamide
PubChem CID46994094
Molecular FormulaC20H17FN6O
Molecular Weight376.40 g/mol
Exact Mass376.14
IUPAC NameN-(1-benzylpyrazol-3-yl)-2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1cc(-c2ccc(F)cn2)cn1)Nc1ccn(Cc2ccccc2)n1
InChIInChI=1S/C20H17FN6O/c21-17-6-7-18(22-11-17)16-10-23-27(13-16)14-20(28)24-19-8-9-26(25-19)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H,24,25,28)
InChIKeyWLCAFKCPMWTKES-UHFFFAOYSA-N
XLogP2.97
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpyrazol-3-yl)-2-[4-(6-methoxypyridazin-3-yl)pyrazol-1-yl]acetamide
CID 46995316
2-[4-(2-aminopyrimidin-4-yl)pyrazol-1-yl]-N-(1-benzylpyrazol-3-yl)acetamide
CID 46995755
N-(1-benzylpyrazol-3-yl)-2-[4-(1,3-thiazol-2-yl)pyrazol-1-yl]acetamide
CID 46998758
2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19285191
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-(4-pyridin-2-ylphenyl)acetamide
CID 118560230
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524979
N-(1-benzylpyrazol-3-yl)-2-(4-chloro-3-methylpyrazol-1-yl)acetamide
CID 4773521
N-(1-benzylpyrazol-3-yl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 47048680
N,N'-bis(1-benzylpyrazol-3-yl)-3-methylhexanediamide
CID 112837683
N-(1-benzylpyrazol-3-yl)-2-(4-bromopyrazol-1-yl)propanamide
CID 19286317
3-(4-chloropyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19539633
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526561

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-3-yl)-2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(1-benzylpyrazol-3-yl)-2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]acetamide (CID 46994094) is N-(1-benzylpyrazol-3-yl)-2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-benzylpyrazol-3-yl)-2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1-benzylpyrazol-3-yl)-2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]acetamide is O=C(Cn1cc(-c2ccc(F)cn2)cn1)Nc1ccn(Cc2ccccc2)n1.
What is the InChIKey of N-(1-benzylpyrazol-3-yl)-2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]acetamide?
The InChIKey is WLCAFKCPMWTKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O/c21-17-6-7-18(22-11-17)16-10-23-27(13-16)14-20(28)24-19-8-9-26(25-19)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H,24,25,28).
What are the key properties of N-(1-benzylpyrazol-3-yl)-2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]acetamide?
N-(1-benzylpyrazol-3-yl)-2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]acetamide has a molecular weight of 376.40 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-3-yl)-2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 46994094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).