N-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-pyrazol-1-ylanilino)acetamide

C16H17FN6O — CID 71858055

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-pyrazol-1-ylanilino)acetamide
SMILESCc1cc(NC(=O)CNc2cc(F)ccc2-n2cccn2)n(C)n1
InChIInChI=1S/C16H17FN6O/c1-11-8-15(22(2)21-11)20-16(24)10-18-13-9-12(17)4-5-14(13)23-7-3-6-19-23/h3-9,18H,10H2,1-2H3,(H,20,24)
InChIKeyAHGHHIIKRMSBJP-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.10
Rot. Bonds5

About N-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-pyrazol-1-ylanilino)acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-pyrazol-1-ylanilino)acetamide (PubChem CID 71858055) has the molecular formula C16H17FN6O and a molecular weight of 328.35 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-pyrazol-1-ylanilino)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-pyrazol-1-ylanilino)acetamide
PubChem CID71858055
Molecular FormulaC16H17FN6O
Molecular Weight328.35 g/mol
Exact Mass328.14
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-pyrazol-1-ylanilino)acetamide
SMILESCc1cc(NC(=O)CNc2cc(F)ccc2-n2cccn2)n(C)n1
InChIInChI=1S/C16H17FN6O/c1-11-8-15(22(2)21-11)20-16(24)10-18-13-9-12(17)4-5-14(13)23-7-3-6-19-23/h3-9,18H,10H2,1-2H3,(H,20,24)
InChIKeyAHGHHIIKRMSBJP-UHFFFAOYSA-N
XLogP2.10
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-Phenyl-1H-pyrazol-3-yl)acetamide
CID 594242
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CID 46985016
N-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyrazol-1-yl)benzyl)-2-(1H-pyrazol-1-yl)acetamide
CID 49862557
N-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyrazol-1-yl)benzyl)-2-(3-methyl-1H-pyrazol-1-yl)acetamide
CID 49862558
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-phenyltriazol-1-yl)acetamide
CID 155521493
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-phenylpyrazol-1-yl)acetamide
CID 155523373
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(4-phenyltriazol-1-yl)acetamide
CID 155526355
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(3-phenylpyrazol-1-yl)acetamide
CID 155550114
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-[5-(2-fluoro-4-pyridinyl)tetrazol-2-yl]acetamide
CID 155555588
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(5-pyridin-3-yltetrazol-2-yl)acetamide
CID 155531002
N-(3-fluorophenyl)-N'-[1-(1-glycylpiperidin-4-yl)-1H-pyrazol-5-yl]urea
CID 56746746
N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]-2-(4-nitro-1H-pyrazol-1-yl)acetamide
CID 1509191

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-pyrazol-1-ylanilino)acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-pyrazol-1-ylanilino)acetamide (CID 71858055) is N-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-pyrazol-1-ylanilino)acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-pyrazol-1-ylanilino)acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-pyrazol-1-ylanilino)acetamide is Cc1cc(NC(=O)CNc2cc(F)ccc2-n2cccn2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-pyrazol-1-ylanilino)acetamide?
The InChIKey is AHGHHIIKRMSBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6O/c1-11-8-15(22(2)21-11)20-16(24)10-18-13-9-12(17)4-5-14(13)23-7-3-6-19-23/h3-9,18H,10H2,1-2H3,(H,20,24).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-pyrazol-1-ylanilino)acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-pyrazol-1-ylanilino)acetamide has a molecular weight of 328.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-pyrazol-1-ylanilino)acetamide is sourced from PubChem (CID 71858055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).